3-[2-[(4-methyl-2-naphthalen-1-yl-pentanoyl)amino]-4-(phenoxymethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-[(4-methyl-2-naphthalen-1-yl-pentanoyl)amino]-4-(phenoxymethyl)phenyl]propanoic acid Openeye Name: 3-[2-[[4-methyl-2-(1-naphthyl)pentanoyl]amino]-4-(phenoxymethyl)phenyl]propanoic acid CAS Name: 3-[2-[[4-methyl-2-(1-naphthalenyl)-1-oxopentyl]amino]-4-(phenoxymethyl)phenyl]propanoic acid IUPAC Name: 3-[2-[(4-methyl-2-naphthalen-1-ylpentanoyl)amino]-4-(phenoxymethyl)phenyl]propanoic acid Traditional Name: 3-[2-[[4-methyl-2-(1-naphthyl)pentanoyl]amino]-4-(phenoxymethyl)phenyl]propionic acid Formula: C32H33NO4 MolecularWeight: 495.60872

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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)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C32H33NO4/c1-22(2)19-29(28-14-8-10-24-9-6-7-13-27(24)28)32(36)33-30-20-23(15-16-25(30)17-18-31(34)35)21-37-26-11-4-3-5-12-26/h3-16,20,22,29H,17-19,21H2,1-2H3,(H,33,36)(H,34,35)