3-azanyl-4-oxidanylidene-4-[4-(phenylmethyl)piperidin-1-yl]butanoate

Systemtic Name: 3-azanyl-4-oxidanylidene-4-[4-(phenylmethyl)piperidin-1-yl]butanoate Openeye Name: 3-amino-4-(4-benzyl-1-piperidyl)-4-oxo-butanoate CAS Name: 3-amino-4-oxo-4-[4-(phenylmethyl)-1-piperidinyl]butanoate IUPAC Name: 3-amino-4-(4-benzylpiperidin-1-yl)-4-oxobutanoate Traditional Name: 3-amino-4-(4-benzylpiperidino)-4-keto-butyrate Formula: C16H21N2O3- MolecularWeight: 289.34954

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C(CC(=O)[O-])N

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C(CC(=O)[O-])N

InChI

InChI=1S/C16H22N2O3/c17-14(11-15(19)20)16(21)18-8-6-13(7-9-18)10-12-4-2-1-3-5-12/h1-5,13-14H,6-11,17H2,(H,19,20)/p-1