3-[3-methoxycarbonyl-9-(phenylmethyl)-2-propan-2-yl-3,4-dihydro-1H-pyrido[3,4-b]indol-1-yl]propanoic acid

Systemtic Name: 3-[3-methoxycarbonyl-9-(phenylmethyl)-2-propan-2-yl-3,4-dihydro-1H-pyrido[3,4-b]indol-1-yl]propanoic acid Openeye Name: 3-(9-benzyl-2-isopropyl-3-methoxycarbonyl-3,4-dihydro-1H-pyrido[3,4-b]indol-1-yl)propanoic acid CAS Name: 3-[3-methoxycarbonyl-9-(phenylmethyl)-2-propan-2-yl-3,4-dihydro-1H-pyrido[3,4-b]indol-1-yl]propanoic acid IUPAC Name: 3-(9-benzyl-3-methoxycarbonyl-2-propan-2-yl-3,4-dihydro-1H-pyrido[3,4-b]indol-1-yl)propanoic acid Traditional Name: 3-(9-benzyl-3-carbomethoxy-2-isopropyl-3,4-dihydro-1H-$b-carbolin-1-yl)propionic acid Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(CC2=C(C1CCC(=O)O)N(C3=CC=CC=C23)CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC(C)N1C(CC2=C(C1CCC(=O)O)N(C3=CC=CC=C23)CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C26H30N2O4/c1-17(2)28-22(13-14-24(29)30)25-20(15-23(28)26(31)32-3)19-11-7-8-12-21(19)27(25)16-18-9-5-4-6-10-18/h4-12,17,22-23H,13-16H2,1-3H3,(H,29,30)