methyl 4-[[[(3S)-1-cycloheptyl-6-oxidanylidene-piperidin-3-yl]carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[(3S)-1-cycloheptyl-6-oxidanylidene-piperidin-3-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[(3S)-1-cycloheptyl-6-oxo-piperidine-3-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[(3S)-1-cycloheptyl-6-oxo-3-piperidinyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[(3S)-1-cycloheptyl-6-oxopiperidine-3-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[(3S)-1-cycloheptyl-6-keto-nipecotoyl]amino]methyl]benzoic acid methyl ester Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)C2CCC(=O)N(C2)C3CCCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)[C@H]2CCC(=O)N(C2)C3CCCCCC3

InChI

InChI=1S/C22H30N2O4/c1-28-22(27)17-10-8-16(9-11-17)14-23-21(26)18-12-13-20(25)24(15-18)19-6-4-2-3-5-7-19/h8-11,18-19H,2-7,12-15H2,1H3,(H,23,26)/t18-/m0/s1