ethyl 5-[4-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]piperidin-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[4-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]piperidin-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl]piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[4-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-1-piperidinyl]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[4-[2-keto-1-methyl-2-(piperonylamino)ethyl]piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C26H33N3O6 MolecularWeight: 483.55672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCC(CC2)C(C)C(=O)NCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCC(CC2)C(C)C(=O)NCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C26H33N3O6/c1-5-33-26(32)22-16(3)23(28-17(22)4)25(31)29-10-8-19(9-11-29)15(2)24(30)27-13-18-6-7-20-21(12-18)35-14-34-20/h6-7,12,15,19,28H,5,8-11,13-14H2,1-4H3,(H,27,30)