2-[[(E)-hex-4-enoyl]amino]-3,5-dimethyl-6-naphthalen-1-yl-4-phenyl-benzoic acid

Systemtic Name: 2-[[(E)-hex-4-enoyl]amino]-3,5-dimethyl-6-naphthalen-1-yl-4-phenyl-benzoic acid Openeye Name: 2-[[(E)-hex-4-enoyl]amino]-3,5-dimethyl-6-(1-naphthyl)-4-phenyl-benzoic acid CAS Name: 3,5-dimethyl-2-(1-naphthalenyl)-6-[[(E)-1-oxohex-4-enyl]amino]-4-phenylbenzoic acid IUPAC Name: 2-[[(E)-hex-4-enoyl]amino]-3,5-dimethyl-6-naphthalen-1-yl-4-phenylbenzoic acid Traditional Name: 2-[[(E)-hex-4-enoyl]amino]-3,5-dimethyl-6-(1-naphthyl)-4-phenyl-benzoic acid Formula: C31H29NO3 MolecularWeight: 463.56686

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCCC(=O)NC1=C(C(=C(C(=C1C(=O)O)C2=CC=CC3=CC=CC=C32)C)C4=CC=CC=C4)C

Isomeric SMILES

C/C=C/CCC(=O)NC1=C(C(=C(C(=C1C(=O)O)C2=CC=CC3=CC=CC=C32)C)C4=CC=CC=C4)C

InChI

InChI=1S/C31H29NO3/c1-4-5-7-19-26(33)32-30-21(3)27(23-14-8-6-9-15-23)20(2)28(29(30)31(34)35)25-18-12-16-22-13-10-11-17-24(22)25/h4-6,8-18H,7,19H2,1-3H3,(H,32,33)(H,34,35)/b5-4+