2-[[1-(2-methylphenyl)-9H-pyrido[3,4-b]indol-3-yl]carbonylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[[1-(2-methylphenyl)-9H-pyrido[3,4-b]indol-3-yl]carbonylamino]-3-oxidanyl-butanoic acid Openeye Name: 3-hydroxy-2-[[1-(o-tolyl)-9H-pyrido[3,4-b]indole-3-carbonyl]amino]butanoic acid CAS Name: 3-hydroxy-2-[[[1-(2-methylphenyl)-9H-pyrido[3,4-b]indol-3-yl]-oxomethyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-[[1-(2-methylphenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]amino]butanoic acid Traditional Name: 3-hydroxy-2-[[1-(o-tolyl)-9H-$b-carboline-3-carbonyl]amino]butyric acid Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C3C(=CC(=N2)C(=O)NC(C(C)O)C(=O)O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=CC=C1C2=C3C(=CC(=N2)C(=O)NC(C(C)O)C(=O)O)C4=CC=CC=C4N3

InChI

InChI=1S/C23H21N3O4/c1-12-7-3-4-8-14(12)20-21-16(15-9-5-6-10-17(15)24-21)11-18(25-20)22(28)26-19(13(2)27)23(29)30/h3-11,13,19,24,27H,1-2H3,(H,26,28)(H,29,30)