methyl 3-azanyl-3-[2-methoxy-4-(1-pyridin-4-ylpiperidin-4-yl)phenyl]propanoate

Systemtic Name: methyl 3-azanyl-3-[2-methoxy-4-(1-pyridin-4-ylpiperidin-4-yl)phenyl]propanoate Openeye Name: methyl 3-amino-3-[2-methoxy-4-[1-(4-pyridyl)-4-piperidyl]phenyl]propanoate CAS Name: 3-amino-3-[2-methoxy-4-(1-pyridin-4-yl-4-piperidinyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-amino-3-[2-methoxy-4-(1-pyridin-4-ylpiperidin-4-yl)phenyl]propanoate Traditional Name: 3-amino-3-[2-methoxy-4-[1-(4-pyridyl)-4-piperidyl]phenyl]propionic acid methyl ester Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2CCN(CC2)C3=CC=NC=C3)C(CC(=O)OC)N

Isomeric SMILES

COC1=C(C=CC(=C1)C2CCN(CC2)C3=CC=NC=C3)C(CC(=O)OC)N

InChI

InChI=1S/C21H27N3O3/c1-26-20-13-16(3-4-18(20)19(22)14-21(25)27-2)15-7-11-24(12-8-15)17-5-9-23-10-6-17/h3-6,9-10,13,15,19H,7-8,11-12,14,22H2,1-2H3