4-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[(3-methoxy-3-oxidanylidene-propanoyl)amino]benzoic acid

Systemtic Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[(3-methoxy-3-oxidanylidene-propanoyl)amino]benzoic acid Openeye Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[(3-methoxy-3-oxo-propanoyl)amino]benzoic acid CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[(3-methoxy-1,3-dioxopropyl)amino]benzoic acid IUPAC Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[(3-methoxy-3-oxopropanoyl)amino]benzoic acid Traditional Name: 4-(homoveratrylamino)-3-[(3-keto-3-methoxy-propanoyl)amino]benzoic acid Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C=C(C=C2)C(=O)O)NC(=O)CC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C=C(C=C2)C(=O)O)NC(=O)CC(=O)OC)OC

InChI

InChI=1S/C21H24N2O7/c1-28-17-7-4-13(10-18(17)29-2)8-9-22-15-6-5-14(21(26)27)11-16(15)23-19(24)12-20(25)30-3/h4-7,10-11,22H,8-9,12H2,1-3H3,(H,23,24)(H,26,27)