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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)CC2=CC=CC=C2C(=O)O)NC(=O)C(CC(C)C)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC1=CC(=C(C=C1)CC2=CC=CC=C2C(=O)O)NC(=O)C(CC(C)C)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C32H33NO4/c1-4-37-25-17-16-24(19-23-11-6-8-14-27(23)32(35)36)30(20-25)33-31(34)29(18-21(2)3)28-15-9-12-22-10-5-7-13-26(22)28/h5-17,20-21,29H,4,18-19H2,1-3H3,(H,33,34)(H,35,36)