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

Systemtic Name: 2-[5-aminocarbonyl-9-[(2-phenoxyphenyl)methyl]pyrido[3,4-b]indol-4-yl]oxyethanoic acid Openeye Name: 2-[5-carbamoyl-9-[(2-phenoxyphenyl)methyl]pyrido[3,4-b]indol-4-yl]oxyacetic acid CAS Name: 2-[[5-carbamoyl-9-[(2-phenoxyphenyl)methyl]-4-pyrido[3,4-b]indolyl]oxy]acetic acid IUPAC Name: 2-[5-carbamoyl-9-[(2-phenoxyphenyl)methyl]pyrido[3,4-b]indol-4-yl]oxyacetic acid Traditional Name: 2-[[5-carbamoyl-9-(2-phenoxybenzyl)-$b-carbolin-4-yl]oxy]acetic acid Formula: C27H21N3O5 MolecularWeight: 467.47274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC=C2CN3C4=CC=CC(=C4C5=C(C=NC=C53)OCC(=O)O)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC=C2CN3C4=CC=CC(=C4C5=C(C=NC=C53)OCC(=O)O)C(=O)N

InChI

InChI=1S/C27H21N3O5/c28-27(33)19-10-6-11-20-25(19)26-21(13-29-14-23(26)34-16-24(31)32)30(20)15-17-7-4-5-12-22(17)35-18-8-2-1-3-9-18/h1-14H,15-16H2,(H2,28,33)(H,31,32)