methyl 4-[3-(isoquinolin-6-yliminomethyl)-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[3-(isoquinolin-6-yliminomethyl)-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: methyl 4-[3-(6-isoquinolyliminomethyl)-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-(6-isoquinolinyliminomethyl)-2,5-dimethyl-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(isoquinolin-6-yliminomethyl)-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-(6-isoquinolyliminomethyl)-2,5-dimethyl-pyrrol-1-yl]benzoic acid methyl ester Formula: C24H21N3O2 MolecularWeight: 383.44244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C=NC3=CC4=C(C=C3)C=NC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C=NC3=CC4=C(C=C3)C=NC=C4

InChI

InChI=1S/C24H21N3O2/c1-16-12-21(15-26-22-7-4-20-14-25-11-10-19(20)13-22)17(2)27(16)23-8-5-18(6-9-23)24(28)29-3/h4-15H,1-3H3