4-[[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]methyl]benzoic acid Openeye Name: 4-[[[(E)-3-(p-tolyl)prop-2-enoyl]amino]methyl]benzoic acid CAS Name: 4-[[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[(E)-3-(p-tolyl)acryloyl]amino]methyl]benzoic acid Formula: C18H17NO3 MolecularWeight: 295.33248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H17NO3/c1-13-2-4-14(5-3-13)8-11-17(20)19-12-15-6-9-16(10-7-15)18(21)22/h2-11H,12H2,1H3,(H,19,20)(H,21,22)/b11-8+