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

Systemtic Name: 4-[2-[(4-methyl-2-naphthalen-1-yl-pentanoyl)amino]-4-(phenoxymethyl)phenyl]butanoic acid Openeye Name: 4-[2-[[4-methyl-2-(1-naphthyl)pentanoyl]amino]-4-(phenoxymethyl)phenyl]butanoic acid CAS Name: 4-[2-[[4-methyl-2-(1-naphthalenyl)-1-oxopentyl]amino]-4-(phenoxymethyl)phenyl]butanoic acid IUPAC Name: 4-[2-[(4-methyl-2-naphthalen-1-ylpentanoyl)amino]-4-(phenoxymethyl)phenyl]butanoic acid Traditional Name: 4-[2-[[4-methyl-2-(1-naphthyl)pentanoyl]amino]-4-(phenoxymethyl)phenyl]butyric acid Formula: C33H35NO4 MolecularWeight: 509.6353

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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)CCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C33H35NO4/c1-23(2)20-30(29-16-8-11-25-10-6-7-15-28(25)29)33(37)34-31-21-24(22-38-27-13-4-3-5-14-27)18-19-26(31)12-9-17-32(35)36/h3-8,10-11,13-16,18-19,21,23,30H,9,12,17,20,22H2,1-2H3,(H,34,37)(H,35,36)