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

Systemtic Name: 2-[5-aminocarbonyl-9-[(4-phenylphenyl)methyl]pyrido[3,4-b]indol-4-yl]oxyethanoic acid Openeye Name: 2-[5-carbamoyl-9-[(4-phenylphenyl)methyl]pyrido[3,4-b]indol-4-yl]oxyacetic acid CAS Name: 2-[[5-carbamoyl-9-[(4-phenylphenyl)methyl]-4-pyrido[3,4-b]indolyl]oxy]acetic acid IUPAC Name: 2-[5-carbamoyl-9-[(4-phenylphenyl)methyl]pyrido[3,4-b]indol-4-yl]oxyacetic acid Traditional Name: 2-[[5-carbamoyl-9-(4-phenylbenzyl)-$b-carbolin-4-yl]oxy]acetic acid Formula: C27H21N3O4 MolecularWeight: 451.47334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)CN3C4=CC=CC(=C4C5=C(C=NC=C53)OCC(=O)O)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CN3C4=CC=CC(=C4C5=C(C=NC=C53)OCC(=O)O)C(=O)N

InChI

InChI=1S/C27H21N3O4/c28-27(33)20-7-4-8-21-25(20)26-22(13-29-14-23(26)34-16-24(31)32)30(21)15-17-9-11-19(12-10-17)18-5-2-1-3-6-18/h1-14H,15-16H2,(H2,28,33)(H,31,32)