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

Systemtic Name: methyl 4-[1-azanyl-1-oxidanylidene-3-(2-piperidin-1-ylphenyl)hexan-2-yl]benzoate Openeye Name: methyl 4-[1-carbamoyl-2-[2-(1-piperidyl)phenyl]pentyl]benzoate CAS Name: 4-[1-amino-1-oxo-3-[2-(1-piperidinyl)phenyl]hexan-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-amino-1-oxo-3-(2-piperidin-1-ylphenyl)hexan-2-yl]benzoate Traditional Name: 4-[1-carbamoyl-2-(2-piperidinophenyl)pentyl]benzoic acid methyl ester Formula: C25H32N2O3 MolecularWeight: 408.53318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O3/c1-3-9-21(20-10-5-6-11-22(20)27-16-7-4-8-17-27)23(24(26)28)18-12-14-19(15-13-18)25(29)30-2/h5-6,10-15,21,23H,3-4,7-9,16-17H2,1-2H3,(H2,26,28)