(E)-3-(1-phenyl-3-propan-2-yl-pyrrolo[2,1-a]isoquinolin-2-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(1-phenyl-3-propan-2-yl-pyrrolo[2,1-a]isoquinolin-2-yl)prop-2-enoic acid Openeye Name: (E)-3-(3-isopropyl-1-phenyl-pyrrolo[2,1-a]isoquinolin-2-yl)prop-2-enoic acid CAS Name: (E)-3-(1-phenyl-3-propan-2-yl-2-pyrrolo[2,1-a]isoquinolinyl)-2-propenoic acid IUPAC Name: (E)-3-(1-phenyl-3-propan-2-ylpyrrolo[2,1-a]isoquinolin-2-yl)prop-2-enoic acid Traditional Name: (E)-3-(3-isopropyl-1-phenyl-pyrrol[2,1-a]isoquinolin-2-yl)acrylic acid Formula: C24H21NO2 MolecularWeight: 355.42904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C2N1C=CC3=CC=CC=C32)C4=CC=CC=C4)C=CC(=O)O

Isomeric SMILES

CC(C)C1=C(C(=C2N1C=CC3=CC=CC=C32)C4=CC=CC=C4)/C=C/C(=O)O

InChI

InChI=1S/C24H21NO2/c1-16(2)23-20(12-13-21(26)27)22(18-9-4-3-5-10-18)24-19-11-7-6-8-17(19)14-15-25(23)24/h3-16H,1-2H3,(H,26,27)/b13-12+