(3S,4R)-1-(3,4-dimethoxyphenyl)carbonyl-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

Systemtic Name: (3S,4R)-1-(3,4-dimethoxyphenyl)carbonyl-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Openeye Name: (3S,4R)-1-(3,4-dimethoxybenzoyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid CAS Name: (3S,4R)-1-[(3,4-dimethoxyphenyl)-oxomethyl]-4-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid IUPAC Name: (3S,4R)-1-(3,4-dimethoxybenzoyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Traditional Name: (3S,4R)-4-(4-methoxyphenyl)-1-veratroyl-pyrrolidine-3-carboxylic acid Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CN(CC2C(=O)O)C(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2CN(C[C@H]2C(=O)O)C(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H23NO6/c1-26-15-7-4-13(5-8-15)16-11-22(12-17(16)21(24)25)20(23)14-6-9-18(27-2)19(10-14)28-3/h4-10,16-17H,11-12H2,1-3H3,(H,24,25)/t16-,17+/m0/s1