4-[2-(2-naphthalen-1-ylpropanoylamino)-4-[[(phenylmethyl)amino]methyl]phenyl]butanoic acid

Systemtic Name: 4-[2-(2-naphthalen-1-ylpropanoylamino)-4-[[(phenylmethyl)amino]methyl]phenyl]butanoic acid Openeye Name: 4-[4-[(benzylamino)methyl]-2-[2-(1-naphthyl)propanoylamino]phenyl]butanoic acid CAS Name: 4-[2-[[2-(1-naphthalenyl)-1-oxopropyl]amino]-4-[[(phenylmethyl)amino]methyl]phenyl]butanoic acid IUPAC Name: 4-[4-[(benzylamino)methyl]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid Traditional Name: 4-[4-[(benzylamino)methyl]-2-[2-(1-naphthyl)propanoylamino]phenyl]butyric acid Formula: C31H32N2O3 MolecularWeight: 480.59738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)CNCC4=CC=CC=C4)CCCC(=O)O

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)CNCC4=CC=CC=C4)CCCC(=O)O

InChI

InChI=1S/C31H32N2O3/c1-22(27-15-7-12-25-11-5-6-14-28(25)27)31(36)33-29-19-24(17-18-26(29)13-8-16-30(34)35)21-32-20-23-9-3-2-4-10-23/h2-7,9-12,14-15,17-19,22,32H,8,13,16,20-21H2,1H3,(H,33,36)(H,34,35)