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

Systemtic Name: ethyl 4-[1-azanyl-1-oxidanylidene-3-(2-piperidin-1-ylphenyl)heptan-2-yl]benzoate Openeye Name: ethyl 4-[1-carbamoyl-2-[2-(1-piperidyl)phenyl]hexyl]benzoate CAS Name: 4-[1-amino-1-oxo-3-[2-(1-piperidinyl)phenyl]heptan-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[1-amino-1-oxo-3-(2-piperidin-1-ylphenyl)heptan-2-yl]benzoate Traditional Name: 4-[1-carbamoyl-2-(2-piperidinophenyl)hexyl]benzoic acid ethyl ester Formula: C27H36N2O3 MolecularWeight: 436.58634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=CC=C1N2CCCCC2)C(C3=CC=C(C=C3)C(=O)OCC)C(=O)N

Isomeric SMILES

CCCCC(C1=CC=CC=C1N2CCCCC2)C(C3=CC=C(C=C3)C(=O)OCC)C(=O)N

InChI

InChI=1S/C27H36N2O3/c1-3-5-11-23(22-12-7-8-13-24(22)29-18-9-6-10-19-29)25(26(28)30)20-14-16-21(17-15-20)27(31)32-4-2/h7-8,12-17,23,25H,3-6,9-11,18-19H2,1-2H3,(H2,28,30)