ethyl 4-[1-azanyl-1-oxidanylidene-3-(2-piperidin-1-ylphenyl)hexan-2-yl]-2-methoxy-benzoate

Systemtic Name: ethyl 4-[1-azanyl-1-oxidanylidene-3-(2-piperidin-1-ylphenyl)hexan-2-yl]-2-methoxy-benzoate Openeye Name: ethyl 4-[1-carbamoyl-2-[2-(1-piperidyl)phenyl]pentyl]-2-methoxy-benzoate CAS Name: 4-[1-amino-1-oxo-3-[2-(1-piperidinyl)phenyl]hexan-2-yl]-2-methoxybenzoic acid ethyl ester IUPAC Name: ethyl 4-[1-amino-1-oxo-3-(2-piperidin-1-ylphenyl)hexan-2-yl]-2-methoxybenzoate Traditional Name: 4-[1-carbamoyl-2-(2-piperidinophenyl)pentyl]-2-methoxy-benzoic acid ethyl ester Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1N2CCCCC2)C(C3=CC(=C(C=C3)C(=O)OCC)OC)C(=O)N

Isomeric SMILES

CCCC(C1=CC=CC=C1N2CCCCC2)C(C3=CC(=C(C=C3)C(=O)OCC)OC)C(=O)N

InChI

InChI=1S/C27H36N2O4/c1-4-11-21(20-12-7-8-13-23(20)29-16-9-6-10-17-29)25(26(28)30)19-14-15-22(24(18-19)32-3)27(31)33-5-2/h7-8,12-15,18,21,25H,4-6,9-11,16-17H2,1-3H3,(H2,28,30)