(E)-7-azanyl-7-oxidanylidene-2-[(phenylmethyl)amino]hept-2-enoic acid

Systemtic Name: (E)-7-azanyl-7-oxidanylidene-2-[(phenylmethyl)amino]hept-2-enoic acid Openeye Name: (E)-7-amino-2-(benzylamino)-7-oxo-hept-2-enoic acid CAS Name: (E)-7-amino-7-oxo-2-[(phenylmethyl)amino]-2-heptenoic acid IUPAC Name: (E)-7-amino-2-(benzylamino)-7-oxohept-2-enoic acid Traditional Name: (E)-7-amino-2-(benzylamino)-7-keto-hept-2-enoic acid Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=CCCCC(=O)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN/C(=C/CCCC(=O)N)/C(=O)O

InChI

InChI=1S/C14H18N2O3/c15-13(17)9-5-4-8-12(14(18)19)16-10-11-6-2-1-3-7-11/h1-3,6-8,16H,4-5,9-10H2,(H2,15,17)(H,18,19)/b12-8+