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

Systemtic Name: ethyl 3,5-dimethyl-4-[4-[2-oxidanylidene-2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]piperidin-1-yl]carbonyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[4-[2-[(4-isopropoxyphenyl)methylamino]-2-oxo-ethyl]piperidine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[oxo-[4-[2-oxo-2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]-1-piperidinyl]methyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[4-[2-oxo-2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]piperidine-1-carbonyl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[4-[2-[(4-isopropoxybenzyl)amino]-2-keto-ethyl]piperidine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C27H37N3O5 MolecularWeight: 483.59978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)N2CCC(CC2)CC(=O)NCC3=CC=C(C=C3)OC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)N2CCC(CC2)CC(=O)NCC3=CC=C(C=C3)OC(C)C)C

InChI

InChI=1S/C27H37N3O5/c1-6-34-27(33)25-18(4)24(19(5)29-25)26(32)30-13-11-20(12-14-30)15-23(31)28-16-21-7-9-22(10-8-21)35-17(2)3/h7-10,17,20,29H,6,11-16H2,1-5H3,(H,28,31)