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

Systemtic Name: 5-[[(E)-hex-4-enoyl]amino]-3-methyl-2-naphthalen-1-yl-4-phenyl-benzoic acid Openeye Name: 5-[[(E)-hex-4-enoyl]amino]-3-methyl-2-(1-naphthyl)-4-phenyl-benzoic acid CAS Name: 3-methyl-2-(1-naphthalenyl)-5-[[(E)-1-oxohex-4-enyl]amino]-4-phenylbenzoic acid IUPAC Name: 5-[[(E)-hex-4-enoyl]amino]-3-methyl-2-naphthalen-1-yl-4-phenylbenzoic acid Traditional Name: 5-[[(E)-hex-4-enoyl]amino]-3-methyl-2-(1-naphthyl)-4-phenyl-benzoic acid Formula: C30H27NO3 MolecularWeight: 449.54028

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCCC(=O)NC1=C(C(=C(C(=C1)C(=O)O)C2=CC=CC3=CC=CC=C32)C)C4=CC=CC=C4

Isomeric SMILES

C/C=C/CCC(=O)NC1=C(C(=C(C(=C1)C(=O)O)C2=CC=CC3=CC=CC=C32)C)C4=CC=CC=C4

InChI

InChI=1S/C30H27NO3/c1-3-4-6-18-27(32)31-26-19-25(30(33)34)29(20(2)28(26)22-13-7-5-8-14-22)24-17-11-15-21-12-9-10-16-23(21)24/h3-5,7-17,19H,6,18H2,1-2H3,(H,31,32)(H,33,34)/b4-3+