2-[5-aminocarbonyl-9-[(3-methylphenyl)methyl]pyrido[3,4-b]indol-4-yl]oxyethanoic acid

Systemtic Name: 2-[5-aminocarbonyl-9-[(3-methylphenyl)methyl]pyrido[3,4-b]indol-4-yl]oxyethanoic acid Openeye Name: 2-[5-carbamoyl-9-(m-tolylmethyl)pyrido[3,4-b]indol-4-yl]oxyacetic acid CAS Name: 2-[[5-carbamoyl-9-[(3-methylphenyl)methyl]-4-pyrido[3,4-b]indolyl]oxy]acetic acid IUPAC Name: 2-[5-carbamoyl-9-[(3-methylphenyl)methyl]pyrido[3,4-b]indol-4-yl]oxyacetic acid Traditional Name: 2-[[5-carbamoyl-9-(3-methylbenzyl)-$b-carbolin-4-yl]oxy]acetic acid Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=CC=CC(=C3C4=C(C=NC=C42)OCC(=O)O)C(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=CC=CC(=C3C4=C(C=NC=C42)OCC(=O)O)C(=O)N

InChI

InChI=1S/C22H19N3O4/c1-13-4-2-5-14(8-13)11-25-16-7-3-6-15(22(23)28)20(16)21-17(25)9-24-10-18(21)29-12-19(26)27/h2-10H,11-12H2,1H3,(H2,23,28)(H,26,27)