2-[[2-[(4-methyl-2-naphthalen-1-yl-pentanoyl)amino]-4-(phenoxymethyl)phenyl]methyl]benzoic acid

Systemtic Name: 2-[[2-[(4-methyl-2-naphthalen-1-yl-pentanoyl)amino]-4-(phenoxymethyl)phenyl]methyl]benzoic acid Openeye Name: 2-[[2-[[4-methyl-2-(1-naphthyl)pentanoyl]amino]-4-(phenoxymethyl)phenyl]methyl]benzoic acid CAS Name: 2-[[2-[[4-methyl-2-(1-naphthalenyl)-1-oxopentyl]amino]-4-(phenoxymethyl)phenyl]methyl]benzoic acid IUPAC Name: 2-[[2-[(4-methyl-2-naphthalen-1-ylpentanoyl)amino]-4-(phenoxymethyl)phenyl]methyl]benzoic acid Traditional Name: 2-[2-[[4-methyl-2-(1-naphthyl)pentanoyl]amino]-4-(phenoxymethyl)benzyl]benzoic acid Formula: C37H35NO4 MolecularWeight: 557.6781

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)COC4=CC=CC=C4)CC5=CC=CC=C5C(=O)O

Isomeric SMILES

CC(C)CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)COC4=CC=CC=C4)CC5=CC=CC=C5C(=O)O

InChI

InChI=1S/C37H35NO4/c1-25(2)21-34(33-18-10-13-27-11-6-8-16-31(27)33)36(39)38-35-22-26(24-42-30-14-4-3-5-15-30)19-20-29(35)23-28-12-7-9-17-32(28)37(40)41/h3-20,22,25,34H,21,23-24H2,1-2H3,(H,38,39)(H,40,41)