4-[3-oxidanylidene-3-(phenethylamino)-2-(phenethylcarbamoyl)prop-1-enyl]benzoic acid

Systemtic Name: 4-[3-oxidanylidene-3-(phenethylamino)-2-(phenethylcarbamoyl)prop-1-enyl]benzoic acid Openeye Name: 4-[3-oxo-3-(phenethylamino)-2-(phenethylcarbamoyl)prop-1-enyl]benzoic acid CAS Name: 4-[3-oxo-2-[oxo-(phenethylamino)methyl]-3-(phenethylamino)prop-1-enyl]benzoic acid IUPAC Name: 4-[3-oxo-3-(phenethylamino)-2-(phenethylcarbamoyl)prop-1-enyl]benzoic acid Traditional Name: 4-[3-keto-3-(phenethylamino)-2-(phenethylcarbamoyl)prop-1-enyl]benzoic acid Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C(=CC2=CC=C(C=C2)C(=O)O)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C(=CC2=CC=C(C=C2)C(=O)O)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C27H26N2O4/c30-25(28-17-15-20-7-3-1-4-8-20)24(19-22-11-13-23(14-12-22)27(32)33)26(31)29-18-16-21-9-5-2-6-10-21/h1-14,19H,15-18H2,(H,28,30)(H,29,31)(H,32,33)