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

Systemtic Name: 4-[(E)-3-[(2-ethoxy-2-oxidanylidene-ethyl)-prop-2-enyl-amino]-2-methyl-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-[allyl-(2-ethoxy-2-oxo-ethyl)amino]-2-methyl-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-2-methyl-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-2-methyl-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-[allyl-(2-ethoxy-2-keto-ethyl)amino]-3-keto-2-methyl-prop-1-enyl]benzoic acid Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO5/c1-4-10-19(12-16(20)24-5-2)17(21)13(3)11-14-6-8-15(9-7-14)18(22)23/h4,6-9,11H,1,5,10,12H2,2-3H3,(H,22,23)/b13-11+