2-[1-[1-[4-(aminomethyl)phenyl]piperidin-4-yl]carbonylpiperidin-4-ylidene]ethanoic acid

Systemtic Name: 2-[1-[1-[4-(aminomethyl)phenyl]piperidin-4-yl]carbonylpiperidin-4-ylidene]ethanoic acid Openeye Name: 2-[1-[1-[4-(aminomethyl)phenyl]piperidine-4-carbonyl]-4-piperidylidene]acetic acid CAS Name: 2-[1-[[1-[4-(aminomethyl)phenyl]-4-piperidinyl]-oxomethyl]-4-piperidinylidene]acetic acid IUPAC Name: 2-[1-[1-[4-(aminomethyl)phenyl]piperidine-4-carbonyl]piperidin-4-ylidene]acetic acid Traditional Name: 2-[1-[1-[4-(aminomethyl)phenyl]isonipecotoyl]-4-piperidylidene]acetic acid Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCC(=CC(=O)O)CC2)C3=CC=C(C=C3)CN

Isomeric SMILES

C1CN(CCC1C(=O)N2CCC(=CC(=O)O)CC2)C3=CC=C(C=C3)CN

InChI

InChI=1S/C20H27N3O3/c21-14-16-1-3-18(4-2-16)22-11-7-17(8-12-22)20(26)23-9-5-15(6-10-23)13-19(24)25/h1-4,13,17H,5-12,14,21H2,(H,24,25)