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

Systemtic Name: 4-[(E)-3-[2-hydroxyethyl-(phenylmethyl)amino]-2-methyl-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-[benzyl(2-hydroxyethyl)amino]-2-methyl-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-[2-hydroxyethyl-(phenylmethyl)amino]-2-methyl-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-[benzyl(2-hydroxyethyl)amino]-2-methyl-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-[benzyl(2-hydroxyethyl)amino]-3-keto-2-methyl-prop-1-enyl]benzoic acid Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=C(C=C1)C(=O)O)C(=O)N(CCO)CC2=CC=CC=C2

Isomeric SMILES

C/C(=C\C1=CC=C(C=C1)C(=O)O)/C(=O)N(CCO)CC2=CC=CC=C2

InChI

InChI=1S/C20H21NO4/c1-15(13-16-7-9-18(10-8-16)20(24)25)19(23)21(11-12-22)14-17-5-3-2-4-6-17/h2-10,13,22H,11-12,14H2,1H3,(H,24,25)/b15-13+