4-(naphthalen-1-ylamino)-4-oxidanylidene-2-[(phenylmethyl)amino]butanoic acid

Systemtic Name: 4-(naphthalen-1-ylamino)-4-oxidanylidene-2-[(phenylmethyl)amino]butanoic acid Openeye Name: 2-(benzylamino)-4-(1-naphthylamino)-4-oxo-butanoic acid CAS Name: 4-(1-naphthalenylamino)-4-oxo-2-[(phenylmethyl)amino]butanoic acid IUPAC Name: 2-(benzylamino)-4-(naphthalen-1-ylamino)-4-oxobutanoic acid Traditional Name: 2-(benzylamino)-4-keto-4-(1-naphthylamino)butyric acid Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(CC(=O)NC2=CC=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(CC(=O)NC2=CC=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C21H20N2O3/c24-20(23-18-12-6-10-16-9-4-5-11-17(16)18)13-19(21(25)26)22-14-15-7-2-1-3-8-15/h1-12,19,22H,13-14H2,(H,23,24)(H,25,26)