ethyl 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-2-methyl-5-phenyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-2-methyl-5-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-2-methyl-5-phenyl-pyrrole-3-carboxylate CAS Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-methyl-5-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate Traditional Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-2-methyl-5-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CC(=O)N3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CC(=O)N3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C25H26N2O3/c1-3-30-25(29)22-15-23(20-10-5-4-6-11-20)27(18(22)2)17-24(28)26-14-13-19-9-7-8-12-21(19)16-26/h4-12,15H,3,13-14,16-17H2,1-2H3