[2-[(3,4-dimethoxyphenyl)methyl-ethyl-amino]-2-oxidanylidene-ethyl] 1-phenylcyclopentane-1-carboxylate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methyl-ethyl-amino]-2-oxidanylidene-ethyl] 1-phenylcyclopentane-1-carboxylate Openeye Name: [2-[(3,4-dimethoxyphenyl)methyl-ethyl-amino]-2-oxo-ethyl] 1-phenylcyclopentanecarboxylate CAS Name: 1-phenyl-1-cyclopentanecarboxylic acid [2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate Traditional Name: 1-phenylcyclopentanecarboxylic acid [2-[ethyl(veratryl)amino]-2-keto-ethyl] ester Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)COC(=O)C2(CCCC2)C3=CC=CC=C3

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)COC(=O)C2(CCCC2)C3=CC=CC=C3

InChI

InChI=1S/C25H31NO5/c1-4-26(17-19-12-13-21(29-2)22(16-19)30-3)23(27)18-31-24(28)25(14-8-9-15-25)20-10-6-5-7-11-20/h5-7,10-13,16H,4,8-9,14-15,17-18H2,1-3H3