methyl 4-[[(3S)-1-(1H-indol-6-ylcarbonyl)piperidin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[(3S)-1-(1H-indol-6-ylcarbonyl)piperidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[(3S)-1-(1H-indole-6-carbonyl)piperidine-3-carbonyl]amino]benzoate CAS Name: 4-[[[(3S)-1-[1H-indol-6-yl(oxo)methyl]-3-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3S)-1-(1H-indole-6-carbonyl)piperidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[(3S)-1-(1H-indole-6-carbonyl)nipecotoyl]amino]benzoic acid methyl ester Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2CCCN(C2)C(=O)C3=CC4=C(C=C3)C=CN4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2CCCN(C2)C(=O)C3=CC4=C(C=C3)C=CN4

InChI

InChI=1S/C23H23N3O4/c1-30-23(29)16-6-8-19(9-7-16)25-21(27)18-3-2-12-26(14-18)22(28)17-5-4-15-10-11-24-20(15)13-17/h4-11,13,18,24H,2-3,12,14H2,1H3,(H,25,27)/t18-/m0/s1