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

Systemtic Name: (E)-3-(1-phenyl-3-propan-2-yl-pyrrolo[2,1-a]phthalazin-2-yl)prop-2-enoic acid Openeye Name: (E)-3-(3-isopropyl-1-phenyl-pyrrolo[2,1-a]phthalazin-2-yl)prop-2-enoic acid CAS Name: (E)-3-(1-phenyl-3-propan-2-yl-2-pyrrolo[2,1-a]phthalazinyl)-2-propenoic acid IUPAC Name: (E)-3-(1-phenyl-3-propan-2-ylpyrrolo[2,1-a]phthalazin-2-yl)prop-2-enoic acid Traditional Name: (E)-3-(3-isopropyl-1-phenyl-pyrrolo[2,1-a]phthalazin-2-yl)acrylic acid Formula: C23H20N2O2 MolecularWeight: 356.4171

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C2N1N=CC3=CC=CC=C32)C4=CC=CC=C4)C=CC(=O)O

Isomeric SMILES

CC(C)C1=C(C(=C2N1N=CC3=CC=CC=C32)C4=CC=CC=C4)/C=C/C(=O)O

InChI

InChI=1S/C23H20N2O2/c1-15(2)22-19(12-13-20(26)27)21(16-8-4-3-5-9-16)23-18-11-7-6-10-17(18)14-24-25(22)23/h3-15H,1-2H3,(H,26,27)/b13-12+