methyl 3-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]carbonylbenzoate

Systemtic Name: methyl 3-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]carbonylbenzoate Openeye Name: methyl 3-[3-[ethyl(4-pyridylmethyl)amino]piperidine-1-carbonyl]benzoate CAS Name: 3-[[3-[ethyl(pyridin-4-ylmethyl)amino]-1-piperidinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidine-1-carbonyl]benzoate Traditional Name: 3-[3-[ethyl(4-pyridylmethyl)amino]piperidine-1-carbonyl]benzoic acid methyl ester Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=NC=C1)C2CCCN(C2)C(=O)C3=CC(=CC=C3)C(=O)OC

Isomeric SMILES

CCN(CC1=CC=NC=C1)C2CCCN(C2)C(=O)C3=CC(=CC=C3)C(=O)OC

InChI

InChI=1S/C22H27N3O3/c1-3-24(15-17-9-11-23-12-10-17)20-8-5-13-25(16-20)21(26)18-6-4-7-19(14-18)22(27)28-2/h4,6-7,9-12,14,20H,3,5,8,13,15-16H2,1-2H3