4-[(E)-3-[(4-ethoxy-4-oxidanylidene-butyl)amino]-2-methyl-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-3-[(4-ethoxy-4-oxidanylidene-butyl)amino]-2-methyl-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-[(4-ethoxy-4-oxo-butyl)amino]-2-methyl-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-[(4-ethoxy-4-oxobutyl)amino]-2-methyl-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-[(4-ethoxy-4-oxobutyl)amino]-2-methyl-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-[(4-ethoxy-4-keto-butyl)amino]-3-keto-2-methyl-prop-1-enyl]benzoic acid Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)C(=CC1=CC=C(C=C1)C(=O)O)C

Isomeric SMILES

CCOC(=O)CCCNC(=O)/C(=C/C1=CC=C(C=C1)C(=O)O)/C

InChI

InChI=1S/C17H21NO5/c1-3-23-15(19)5-4-10-18-16(20)12(2)11-13-6-8-14(9-7-13)17(21)22/h6-9,11H,3-5,10H2,1-2H3,(H,18,20)(H,21,22)/b12-11+