2-[5-aminocarbonyl-9-[(2-methylnaphthalen-1-yl)methyl]pyrido[3,4-b]indol-4-yl]oxyethanoic acid

Systemtic Name: 2-[5-aminocarbonyl-9-[(2-methylnaphthalen-1-yl)methyl]pyrido[3,4-b]indol-4-yl]oxyethanoic acid Openeye Name: 2-[5-carbamoyl-9-[(2-methyl-1-naphthyl)methyl]pyrido[3,4-b]indol-4-yl]oxyacetic acid CAS Name: 2-[[5-carbamoyl-9-[(2-methyl-1-naphthalenyl)methyl]-4-pyrido[3,4-b]indolyl]oxy]acetic acid IUPAC Name: 2-[5-carbamoyl-9-[(2-methylnaphthalen-1-yl)methyl]pyrido[3,4-b]indol-4-yl]oxyacetic acid Traditional Name: 2-[[5-carbamoyl-9-[(2-methyl-1-naphthyl)methyl]-$b-carbolin-4-yl]oxy]acetic acid Formula: C26H21N3O4 MolecularWeight: 439.46264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C=C1)CN3C4=CC=CC(=C4C5=C(C=NC=C53)OCC(=O)O)C(=O)N

Isomeric SMILES

CC1=C(C2=CC=CC=C2C=C1)CN3C4=CC=CC(=C4C5=C(C=NC=C53)OCC(=O)O)C(=O)N

InChI

InChI=1S/C26H21N3O4/c1-15-9-10-16-5-2-3-6-17(16)19(15)13-29-20-8-4-7-18(26(27)32)24(20)25-21(29)11-28-12-22(25)33-14-23(30)31/h2-12H,13-14H2,1H3,(H2,27,32)(H,30,31)