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

Systemtic Name: 2-[[1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]carbonylamino]-3-oxidanyl-butanoic acid Openeye Name: 3-hydroxy-2-[[1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]amino]butanoic acid CAS Name: 3-hydroxy-2-[[[1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-oxomethyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-[[1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]amino]butanoic acid Traditional Name: 3-hydroxy-2-[[1-(3-methoxyphenyl)-9H-$b-carboline-3-carbonyl]amino]butyric acid Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2)C4=CC(=CC=C4)OC)O

Isomeric SMILES

CC(C(C(=O)O)NC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2)C4=CC(=CC=C4)OC)O

InChI

InChI=1S/C23H21N3O5/c1-12(27)19(23(29)30)26-22(28)18-11-16-15-8-3-4-9-17(15)24-21(16)20(25-18)13-6-5-7-14(10-13)31-2/h3-12,19,24,27H,1-2H3,(H,26,28)(H,29,30)