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

Systemtic Name: 4-[(E)-3-[cyclohexyl-(2-ethoxy-2-oxidanylidene-ethyl)amino]-2-methyl-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-[cyclohexyl-(2-ethoxy-2-oxo-ethyl)amino]-2-methyl-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-[cyclohexyl-(2-ethoxy-2-oxoethyl)amino]-2-methyl-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-[cyclohexyl-(2-ethoxy-2-oxoethyl)amino]-2-methyl-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-[cyclohexyl-(2-ethoxy-2-keto-ethyl)amino]-3-keto-2-methyl-prop-1-enyl]benzoic acid Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1CCCCC1)C(=O)C(=CC2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CCOC(=O)CN(C1CCCCC1)C(=O)/C(=C/C2=CC=C(C=C2)C(=O)O)/C

InChI

InChI=1S/C21H27NO5/c1-3-27-19(23)14-22(18-7-5-4-6-8-18)20(24)15(2)13-16-9-11-17(12-10-16)21(25)26/h9-13,18H,3-8,14H2,1-2H3,(H,25,26)/b15-13+