methyl 3-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidin-1-yl]carbonylbenzoate

Systemtic Name: methyl 3-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidin-1-yl]carbonylbenzoate Openeye Name: methyl 3-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-1-carbonyl]benzoate CAS Name: 3-[[4-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-1-piperidinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-1-carbonyl]benzoate Traditional Name: 3-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-1-carbonyl]benzoic acid methyl ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22N2O6/c1-28-22(27)16-4-2-3-15(11-16)21(26)24-9-7-14(8-10-24)20(25)23-17-5-6-18-19(12-17)30-13-29-18/h2-6,11-12,14H,7-10,13H2,1H3,(H,23,25)