methyl (E)-3-[5-[4-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]-2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]phenyl]prop-2-enoate

Systemtic Name: methyl (E)-3-[5-[4-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]-2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[5-[4-[carbamoyl(hydroxy)amino]but-1-ynyl]-2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]phenyl]prop-2-enoate CAS Name: (E)-3-[5-[4-[carbamoyl(hydroxy)amino]but-1-ynyl]-2-[2-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]ethoxy]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[5-[4-[carbamoyl(hydroxy)amino]but-1-ynyl]-2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]phenyl]prop-2-enoate Traditional Name: (E)-3-[5-[4-[carbamoyl(hydroxy)amino]but-1-ynyl]-2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]ethoxy]phenyl]acrylic acid methyl ester Formula: C34H37ClN4O5 MolecularWeight: 617.13438

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=C(C=CC(=C1)C#CCCN(C(=O)N)O)OCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)/C=C/C1=C(C=CC(=C1)C#CCCN(C(=O)N)O)OCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C34H37ClN4O5/c1-43-32(40)17-13-29-25-26(7-5-6-18-39(42)34(36)41)10-16-31(29)44-24-23-37-19-21-38(22-20-37)33(27-8-3-2-4-9-27)28-11-14-30(35)15-12-28/h2-4,8-17,25,33,42H,6,18-24H2,1H3,(H2,36,41)/b17-13+