methyl 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]-5-[4-[oxidanyl(phenoxycarbonyl)amino]butyl]benzoate

Systemtic Name: methyl 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]-5-[4-[oxidanyl(phenoxycarbonyl)amino]butyl]benzoate Openeye Name: methyl 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]-5-[4-[hydroxy(phenoxycarbonyl)amino]butyl]benzoate CAS Name: 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]ethoxy]-5-[4-[hydroxy-[oxo(phenoxy)methyl]amino]butyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]-5-[4-[hydroxy(phenoxycarbonyl)amino]butyl]benzoate Traditional Name: 5-[4-[carbophenoxy(hydroxy)amino]butyl]-2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]ethoxy]benzoic acid methyl ester Formula: C38H42ClN3O6 MolecularWeight: 672.20958

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)CCCCN(C(=O)OC2=CC=CC=C2)O)OCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)CCCCN(C(=O)OC2=CC=CC=C2)O)OCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C38H42ClN3O6/c1-46-37(43)34-28-29(10-8-9-21-42(45)38(44)48-33-13-6-3-7-14-33)15-20-35(34)47-27-26-40-22-24-41(25-23-40)36(30-11-4-2-5-12-30)31-16-18-32(39)19-17-31/h2-7,11-20,28,36,45H,8-10,21-27H2,1H3