ethyl 4-[1-azanyl-3-[2-(4-methylpiperidin-1-yl)phenyl]-1-oxidanylidene-hexan-2-yl]benzoate

Systemtic Name: ethyl 4-[1-azanyl-3-[2-(4-methylpiperidin-1-yl)phenyl]-1-oxidanylidene-hexan-2-yl]benzoate Openeye Name: ethyl 4-[1-carbamoyl-2-[2-(4-methyl-1-piperidyl)phenyl]pentyl]benzoate CAS Name: 4-[1-amino-3-[2-(4-methyl-1-piperidinyl)phenyl]-1-oxohexan-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[1-amino-3-[2-(4-methylpiperidin-1-yl)phenyl]-1-oxohexan-2-yl]benzoate Traditional Name: 4-[1-carbamoyl-2-[2-(4-methylpiperidino)phenyl]pentyl]benzoic acid ethyl ester Formula: C27H36N2O3 MolecularWeight: 436.58634

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1N2CCC(CC2)C)C(C3=CC=C(C=C3)C(=O)OCC)C(=O)N

Isomeric SMILES

CCCC(C1=CC=CC=C1N2CCC(CC2)C)C(C3=CC=C(C=C3)C(=O)OCC)C(=O)N

InChI

InChI=1S/C27H36N2O3/c1-4-8-23(22-9-6-7-10-24(22)29-17-15-19(3)16-18-29)25(26(28)30)20-11-13-21(14-12-20)27(31)32-5-2/h6-7,9-14,19,23,25H,4-5,8,15-18H2,1-3H3,(H2,28,30)