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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN2C3=CC=CC(=C3C4=C(C=NC=C42)OCC(=O)O)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CCCN2C3=CC=CC(=C3C4=C(C=NC=C42)OCC(=O)O)C(=O)N

InChI

InChI=1S/C23H21N3O4/c24-23(29)16-9-4-10-17-21(16)22-18(12-25-13-19(22)30-14-20(27)28)26(17)11-5-8-15-6-2-1-3-7-15/h1-4,6-7,9-10,12-13H,5,8,11,14H2,(H2,24,29)(H,27,28)