4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)benzoic acid

Systemtic Name: 4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)benzoic acid Openeye Name: 4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)benzoic acid CAS Name: 4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)benzoic acid IUPAC Name: 4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)benzoic acid Traditional Name: 4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)benzoic acid Formula: C22H21NO2 MolecularWeight: 331.40764

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)N(C(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CCC2=C(CC1)N(C(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H21NO2/c24-22(25)17-11-13-19(14-12-17)23-20-10-6-2-5-9-18(20)15-21(23)16-7-3-1-4-8-16/h1,3-4,7-8,11-15H,2,5-6,9-10H2,(H,24,25)