ethyl (E)-3-oxidanyl-5-oxidanylidene-7-(1-phenyl-3-propan-2-yl-pyrrolo[2,1-a]isoquinolin-2-yl)hept-6-enoate

Systemtic Name: ethyl (E)-3-oxidanyl-5-oxidanylidene-7-(1-phenyl-3-propan-2-yl-pyrrolo[2,1-a]isoquinolin-2-yl)hept-6-enoate Openeye Name: ethyl (E)-3-hydroxy-7-(3-isopropyl-1-phenyl-pyrrolo[2,1-a]isoquinolin-2-yl)-5-oxo-hept-6-enoate CAS Name: (E)-3-hydroxy-5-oxo-7-(1-phenyl-3-propan-2-yl-2-pyrrolo[2,1-a]isoquinolinyl)-6-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-3-hydroxy-5-oxo-7-(1-phenyl-3-propan-2-ylpyrrolo[2,1-a]isoquinolin-2-yl)hept-6-enoate Traditional Name: (E)-3-hydroxy-7-(3-isopropyl-1-phenyl-pyrrol[2,1-a]isoquinolin-2-yl)-5-keto-hept-6-enoic acid ethyl ester Formula: C30H31NO4 MolecularWeight: 469.57144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CC(=O)C=CC1=C(N2C=CC3=CC=CC=C3C2=C1C4=CC=CC=C4)C(C)C)O

Isomeric SMILES

CCOC(=O)CC(CC(=O)/C=C/C1=C(N2C=CC3=CC=CC=C3C2=C1C4=CC=CC=C4)C(C)C)O

InChI

InChI=1S/C30H31NO4/c1-4-35-27(34)19-24(33)18-23(32)14-15-26-28(22-11-6-5-7-12-22)30-25-13-9-8-10-21(25)16-17-31(30)29(26)20(2)3/h5-17,20,24,33H,4,18-19H2,1-3H3/b15-14+