3-(2-aminophenyl)-4-(3-cyclobutyl-2-naphthalen-1-yl-propanoyl)-2-methyl-benzoic acid

Systemtic Name: 3-(2-aminophenyl)-4-(3-cyclobutyl-2-naphthalen-1-yl-propanoyl)-2-methyl-benzoic acid Openeye Name: 3-(2-aminophenyl)-4-[3-cyclobutyl-2-(1-naphthyl)propanoyl]-2-methyl-benzoic acid CAS Name: 3-(2-aminophenyl)-4-[3-cyclobutyl-2-(1-naphthalenyl)-1-oxopropyl]-2-methylbenzoic acid IUPAC Name: 3-(2-aminophenyl)-4-(3-cyclobutyl-2-naphthalen-1-ylpropanoyl)-2-methylbenzoic acid Traditional Name: 3-(2-aminophenyl)-4-[3-cyclobutyl-2-(1-naphthyl)propanoyl]-2-methyl-benzoic acid Formula: C31H29NO3 MolecularWeight: 463.56686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C2=CC=CC=C2N)C(=O)C(CC3CCC3)C4=CC=CC5=CC=CC=C54)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1C2=CC=CC=C2N)C(=O)C(CC3CCC3)C4=CC=CC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C31H29NO3/c1-19-22(31(34)35)16-17-26(29(19)25-13-4-5-15-28(25)32)30(33)27(18-20-8-6-9-20)24-14-7-11-21-10-2-3-12-23(21)24/h2-5,7,10-17,20,27H,6,8-9,18,32H2,1H3,(H,34,35)