methyl 4-[[(3S)-3-[(3,4-dimethoxyphenyl)amino]piperidin-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[(3S)-3-[(3,4-dimethoxyphenyl)amino]piperidin-1-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[(3S)-3-(3,4-dimethoxyanilino)piperidine-1-carbonyl]amino]benzoate CAS Name: 4-[[[(3S)-3-(3,4-dimethoxyanilino)-1-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3S)-3-(3,4-dimethoxyanilino)piperidine-1-carbonyl]amino]benzoate Traditional Name: 4-[[(3S)-3-(3,4-dimethoxyanilino)piperidine-1-carbonyl]amino]benzoic acid methyl ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)NC3=CC=C(C=C3)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N[C@H]2CCCN(C2)C(=O)NC3=CC=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C22H27N3O5/c1-28-19-11-10-17(13-20(19)29-2)23-18-5-4-12-25(14-18)22(27)24-16-8-6-15(7-9-16)21(26)30-3/h6-11,13,18,23H,4-5,12,14H2,1-3H3,(H,24,27)/t18-/m0/s1