ethyl 3-[(4-phenoxyphenyl)carbamoyl]pyrrolo[2,1-a]isoquinoline-1-carboxylate

Systemtic Name: ethyl 3-[(4-phenoxyphenyl)carbamoyl]pyrrolo[2,1-a]isoquinoline-1-carboxylate Openeye Name: ethyl 3-[(4-phenoxyphenyl)carbamoyl]pyrrolo[2,1-a]isoquinoline-1-carboxylate CAS Name: 3-[oxo-(4-phenoxyanilino)methyl]-1-pyrrolo[2,1-a]isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-phenoxyphenyl)carbamoyl]pyrrolo[2,1-a]isoquinoline-1-carboxylate Traditional Name: 3-[(4-phenoxyphenyl)carbamoyl]pyrrol[2,1-a]isoquinoline-1-carboxylic acid ethyl ester Formula: C28H22N2O4 MolecularWeight: 450.48528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C3=CC=CC=C3C=CN2C(=C1)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C2C3=CC=CC=C3C=CN2C(=C1)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H22N2O4/c1-2-33-28(32)24-18-25(30-17-16-19-8-6-7-11-23(19)26(24)30)27(31)29-20-12-14-22(15-13-20)34-21-9-4-3-5-10-21/h3-18H,2H2,1H3,(H,29,31)