6-[(7R,13S,17S)-13-methyl-3,17-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]hexyl N-[3-[4-[bis(2-chloroethyl)amino]phenyl]propyl]carbamate

Systemtic Name: 6-[(7R,13S,17S)-13-methyl-3,17-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]hexyl N-[3-[4-[bis(2-chloroethyl)amino]phenyl]propyl]carbamate Openeye Name: 6-[(7R,13S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]hexyl N-[3-[4-[bis(2-chloroethyl)amino]phenyl]propyl]carbamate CAS Name: N-[3-[4-[bis(2-chloroethyl)amino]phenyl]propyl]carbamic acid 6-[(7R,13S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]hexyl ester IUPAC Name: 6-[(7R,13S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]hexyl N-[3-[4-[bis(2-chloroethyl)amino]phenyl]propyl]carbamate Traditional Name: N-[3-[4-[bis(2-chloroethyl)amino]phenyl]propyl]carbamic acid 6-[(7R,13S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]hexyl ester Formula: C38H54Cl2N2O4 MolecularWeight: 673.75236

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2O)C(CC4=C3C=CC(=C4)O)CCCCCCOC(=O)NCCCC5=CC=C(C=C5)N(CCCl)CCCl

Isomeric SMILES

C[C@]12CCC3C(C1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCOC(=O)NCCCC5=CC=C(C=C5)N(CCCl)CCCl

InChI

InChI=1S/C38H54Cl2N2O4/c1-38-18-17-33-32-14-13-31(43)26-29(32)25-28(36(33)34(38)15-16-35(38)44)8-4-2-3-5-24-46-37(45)41-21-6-7-27-9-11-30(12-10-27)42(22-19-39)23-20-40/h9-14,26,28,33-36,43-44H,2-8,15-25H2,1H3,(H,41,45)/t28-,33?,34?,35+,36?,38+/m1/s1