dimethyl 3-[(2-ethoxyphenyl)carbamoyl]pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate

Systemtic Name: dimethyl 3-[(2-ethoxyphenyl)carbamoyl]pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate Openeye Name: dimethyl 3-[(2-ethoxyphenyl)carbamoyl]pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate CAS Name: 3-[(2-ethoxyanilino)-oxomethyl]pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-[(2-ethoxyphenyl)carbamoyl]pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate Traditional Name: 3-(o-phenetylcarbamoyl)pyrrol[2,1-a]isoquinoline-1,2-dicarboxylic acid dimethyl ester Formula: C25H22N2O6 MolecularWeight: 446.45198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C2=C(C(=C3N2C=CC4=CC=CC=C43)C(=O)OC)C(=O)OC

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C2=C(C(=C3N2C=CC4=CC=CC=C43)C(=O)OC)C(=O)OC

InChI

InChI=1S/C25H22N2O6/c1-4-33-18-12-8-7-11-17(18)26-23(28)22-20(25(30)32-3)19(24(29)31-2)21-16-10-6-5-9-15(16)13-14-27(21)22/h5-14H,4H2,1-3H3,(H,26,28)