2-methyl-4-(2-naphthalen-1-ylheptanoylamino)-3-phenyl-benzoic acid

Systemtic Name: 2-methyl-4-(2-naphthalen-1-ylheptanoylamino)-3-phenyl-benzoic acid Openeye Name: 2-methyl-4-[2-(1-naphthyl)heptanoylamino]-3-phenyl-benzoic acid CAS Name: 2-methyl-4-[[2-(1-naphthalenyl)-1-oxoheptyl]amino]-3-phenylbenzoic acid IUPAC Name: 2-methyl-4-(2-naphthalen-1-ylheptanoylamino)-3-phenylbenzoic acid Traditional Name: 2-methyl-4-[2-(1-naphthyl)heptanoylamino]-3-phenyl-benzoic acid Formula: C31H31NO3 MolecularWeight: 465.58274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C(=C(C=C3)C(=O)O)C)C4=CC=CC=C4

Isomeric SMILES

CCCCCC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C(=C(C=C3)C(=O)O)C)C4=CC=CC=C4

InChI

InChI=1S/C31H31NO3/c1-3-4-6-17-27(26-18-11-15-22-12-9-10-16-25(22)26)30(33)32-28-20-19-24(31(34)35)21(2)29(28)23-13-7-5-8-14-23/h5,7-16,18-20,27H,3-4,6,17H2,1-2H3,(H,32,33)(H,34,35)