2-(naphthalen-1-ylmethyl)-4-oxidanylidene-4-(phenethylamino)butanoic acid

Systemtic Name: 2-(naphthalen-1-ylmethyl)-4-oxidanylidene-4-(phenethylamino)butanoic acid Openeye Name: 2-(1-naphthylmethyl)-4-oxo-4-(phenethylamino)butanoic acid CAS Name: 2-(1-naphthalenylmethyl)-4-oxo-4-(phenethylamino)butanoic acid IUPAC Name: 2-(naphthalen-1-ylmethyl)-4-oxo-4-(phenethylamino)butanoic acid Traditional Name: 4-keto-2-(1-naphthylmethyl)-4-(phenethylamino)butyric acid Formula: C23H23NO3 MolecularWeight: 361.43362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CC(CC2=CC=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CC(CC2=CC=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C23H23NO3/c25-22(24-14-13-17-7-2-1-3-8-17)16-20(23(26)27)15-19-11-6-10-18-9-4-5-12-21(18)19/h1-12,20H,13-16H2,(H,24,25)(H,26,27)