4-oxidanylidene-4-[(phenylmethyl)amino]-2-(prop-2-enylamino)butanoic acid

Systemtic Name: 4-oxidanylidene-4-[(phenylmethyl)amino]-2-(prop-2-enylamino)butanoic acid Openeye Name: 2-(allylamino)-4-(benzylamino)-4-oxo-butanoic acid CAS Name: 4-oxo-4-[(phenylmethyl)amino]-2-(prop-2-enylamino)butanoic acid IUPAC Name: 4-(benzylamino)-4-oxo-2-(prop-2-enylamino)butanoic acid Traditional Name: 2-(allylamino)-4-(benzylamino)-4-keto-butyric acid Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(CC(=O)NCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

C=CCNC(CC(=O)NCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C14H18N2O3/c1-2-8-15-12(14(18)19)9-13(17)16-10-11-6-4-3-5-7-11/h2-7,12,15H,1,8-10H2,(H,16,17)(H,18,19)