ethyl 5-[[4-[bis(2-chloroethyl)amino]phenyl]carbonylamino]-1-methyl-indole-2-carboxylate

Systemtic Name: ethyl 5-[[4-[bis(2-chloroethyl)amino]phenyl]carbonylamino]-1-methyl-indole-2-carboxylate Openeye Name: ethyl 5-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1-methyl-indole-2-carboxylate CAS Name: 5-[[[4-[bis(2-chloroethyl)amino]phenyl]-oxomethyl]amino]-1-methyl-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1-methylindole-2-carboxylate Traditional Name: 5-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1-methyl-indole-2-carboxylic acid ethyl ester Formula: C23H25Cl2N3O3 MolecularWeight: 462.3689

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1C)C=CC(=C2)NC(=O)C3=CC=C(C=C3)N(CCCl)CCCl

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1C)C=CC(=C2)NC(=O)C3=CC=C(C=C3)N(CCCl)CCCl

InChI

InChI=1S/C23H25Cl2N3O3/c1-3-31-23(30)21-15-17-14-18(6-9-20(17)27(21)2)26-22(29)16-4-7-19(8-5-16)28(12-10-24)13-11-25/h4-9,14-15H,3,10-13H2,1-2H3,(H,26,29)