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

Systemtic Name: 2-[5-aminocarbonyl-9-[(4-methoxy-3-methyl-phenyl)methyl]pyrido[3,4-b]indol-4-yl]oxyethanoic acid Openeye Name: 2-[5-carbamoyl-9-[(4-methoxy-3-methyl-phenyl)methyl]pyrido[3,4-b]indol-4-yl]oxyacetic acid CAS Name: 2-[[5-carbamoyl-9-[(4-methoxy-3-methylphenyl)methyl]-4-pyrido[3,4-b]indolyl]oxy]acetic acid IUPAC Name: 2-[5-carbamoyl-9-[(4-methoxy-3-methylphenyl)methyl]pyrido[3,4-b]indol-4-yl]oxyacetic acid Traditional Name: 2-[[5-carbamoyl-9-(4-methoxy-3-methyl-benzyl)-$b-carbolin-4-yl]oxy]acetic acid Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O5/c1-13-8-14(6-7-18(13)30-2)11-26-16-5-3-4-15(23(24)29)21(16)22-17(26)9-25-10-19(22)31-12-20(27)28/h3-10H,11-12H2,1-2H3,(H2,24,29)(H,27,28)