[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-phenylmethoxycarbonyl-amino]-1-oxidanyl-ethyl]phenyl] benzoate

Systemtic Name: [4-[2-[2-(3,4-dimethoxyphenyl)ethyl-phenylmethoxycarbonyl-amino]-1-oxidanyl-ethyl]phenyl] benzoate Openeye Name: [4-[2-[benzyloxycarbonyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-1-hydroxy-ethyl]phenyl] benzoate CAS Name: benzoic acid [4-[2-[2-(3,4-dimethoxyphenyl)ethyl-phenylmethoxycarbonylamino]-1-hydroxyethyl]phenyl] ester IUPAC Name: [4-[2-[2-(3,4-dimethoxyphenyl)ethyl-phenylmethoxycarbonylamino]-1-hydroxyethyl]phenyl] benzoate Traditional Name: benzoic acid [4-[2-[carbobenzoxy(homoveratryl)amino]-1-hydroxy-ethyl]phenyl] ester Formula: C33H33NO7 MolecularWeight: 555.61762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN(CC(C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)O)C(=O)OCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN(CC(C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)O)C(=O)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C33H33NO7/c1-38-30-18-13-24(21-31(30)39-2)19-20-34(33(37)40-23-25-9-5-3-6-10-25)22-29(35)26-14-16-28(17-15-26)41-32(36)27-11-7-4-8-12-27/h3-18,21,29,35H,19-20,22-23H2,1-2H3