[2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-ethoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)benzoate

Systemtic Name: [2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-ethoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)benzoate Openeye Name: [2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 3-ethoxy-4-[2-oxo-2-(1-piperidyl)ethoxy]benzoate CAS Name: 3-ethoxy-4-[2-oxo-2-(1-piperidinyl)ethoxy]benzoic acid [2-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate Traditional Name: 3-ethoxy-4-(2-keto-2-piperidino-ethoxy)benzoic acid [2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C27H36N2O6 MolecularWeight: 484.58454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)C(C)C)C)OCC(=O)N3CCCCC3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)C(C)C)C)OCC(=O)N3CCCCC3

InChI

InChI=1S/C27H36N2O6/c1-6-33-25-15-21(10-11-24(25)34-17-26(31)28-12-8-7-9-13-28)27(32)35-16-23(30)22-14-19(4)29(18(2)3)20(22)5/h10-11,14-15,18H,6-9,12-13,16-17H2,1-5H3