4-[(3-methoxyphenyl)amino]-4-oxidanylidene-2-piperazin-1-yl-butanoic acid

Systemtic Name: 4-[(3-methoxyphenyl)amino]-4-oxidanylidene-2-piperazin-1-yl-butanoic acid Openeye Name: 4-(3-methoxyanilino)-4-oxo-2-piperazin-1-yl-butanoic acid CAS Name: 4-(3-methoxyanilino)-4-oxo-2-(1-piperazinyl)butanoic acid IUPAC Name: 4-(3-methoxyanilino)-4-oxo-2-piperazin-1-ylbutanoic acid Traditional Name: 4-keto-4-(m-anisidino)-2-piperazino-butyric acid Formula: C15H21N3O4 MolecularWeight: 307.34494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CC(C(=O)O)N2CCNCC2

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CC(C(=O)O)N2CCNCC2

InChI

InChI=1S/C15H21N3O4/c1-22-12-4-2-3-11(9-12)17-14(19)10-13(15(20)21)18-7-5-16-6-8-18/h2-4,9,13,16H,5-8,10H2,1H3,(H,17,19)(H,20,21)