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

Systemtic Name: 2-[5-aminocarbonyl-9-[(4-ethylphenyl)methyl]pyrido[3,4-b]indol-4-yl]oxyethanoic acid Openeye Name: 2-[5-carbamoyl-9-[(4-ethylphenyl)methyl]pyrido[3,4-b]indol-4-yl]oxyacetic acid CAS Name: 2-[[5-carbamoyl-9-[(4-ethylphenyl)methyl]-4-pyrido[3,4-b]indolyl]oxy]acetic acid IUPAC Name: 2-[5-carbamoyl-9-[(4-ethylphenyl)methyl]pyrido[3,4-b]indol-4-yl]oxyacetic acid Traditional Name: 2-[[5-carbamoyl-9-(4-ethylbenzyl)-$b-carbolin-4-yl]oxy]acetic acid Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2C3=CC=CC(=C3C4=C(C=NC=C42)OCC(=O)O)C(=O)N

Isomeric SMILES

CCC1=CC=C(C=C1)CN2C3=CC=CC(=C3C4=C(C=NC=C42)OCC(=O)O)C(=O)N

InChI

InChI=1S/C23H21N3O4/c1-2-14-6-8-15(9-7-14)12-26-17-5-3-4-16(23(24)29)21(17)22-18(26)10-25-11-19(22)30-13-20(27)28/h3-11H,2,12-13H2,1H3,(H2,24,29)(H,27,28)