4-[5-(5,8-dimethyl-5,6,7,8-tetrahydroquinoxalin-2-yl)-1H-pyrrol-2-yl]benzoic acid

Systemtic Name: 4-[5-(5,8-dimethyl-5,6,7,8-tetrahydroquinoxalin-2-yl)-1H-pyrrol-2-yl]benzoic acid Openeye Name: 4-[5-(5,8-dimethyl-5,6,7,8-tetrahydroquinoxalin-2-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 4-[5-(5,8-dimethyl-5,6,7,8-tetrahydroquinoxalin-2-yl)-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 4-[5-(5,8-dimethyl-5,6,7,8-tetrahydroquinoxalin-2-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 4-[5-(5,8-dimethyl-5,6,7,8-tetrahydroquinoxalin-2-yl)-1H-pyrrol-2-yl]benzoic acid Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C2=NC(=CN=C12)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CC1CCC(C2=NC(=CN=C12)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C21H21N3O2/c1-12-3-4-13(2)20-19(12)22-11-18(24-20)17-10-9-16(23-17)14-5-7-15(8-6-14)21(25)26/h5-13,23H,3-4H2,1-2H3,(H,25,26)