dipropan-2-yl 3-(4-methylphenyl)carbonylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate

Systemtic Name: dipropan-2-yl 3-(4-methylphenyl)carbonylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate Openeye Name: diisopropyl 3-(4-methylbenzoyl)pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate CAS Name: 3-[(4-methylphenyl)-oxomethyl]pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 3-(4-methylbenzoyl)pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate Traditional Name: 3-p-toluoylpyrrol[2,1-a]isoquinoline-1,2-dicarboxylic acid diisopropyl ester Formula: C28H27NO5 MolecularWeight: 457.51768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(C(=C3N2C=CC4=CC=CC=C43)C(=O)OC(C)C)C(=O)OC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(C(=C3N2C=CC4=CC=CC=C43)C(=O)OC(C)C)C(=O)OC(C)C

InChI

InChI=1S/C28H27NO5/c1-16(2)33-27(31)22-23(28(32)34-17(3)4)25(26(30)20-12-10-18(5)11-13-20)29-15-14-19-8-6-7-9-21(19)24(22)29/h6-17H,1-5H3