2-(2-adamantyloxycarbonylamino)-2-(9H-pyrido[3,4-b]indol-3-yl)propanoic acid

Systemtic Name: 2-(2-adamantyloxycarbonylamino)-2-(9H-pyrido[3,4-b]indol-3-yl)propanoic acid Openeye Name: 2-(2-adamantyloxycarbonylamino)-2-(9H-pyrido[3,4-b]indol-3-yl)propanoic acid CAS Name: 2-[[2-adamantyloxy(oxo)methyl]amino]-2-(9H-pyrido[3,4-b]indol-3-yl)propanoic acid IUPAC Name: 2-(2-adamantyloxycarbonylamino)-2-(9H-pyrido[3,4-b]indol-3-yl)propanoic acid Traditional Name: 2-(2-adamantyloxycarbonylamino)-2-(9H-$b-carbolin-3-yl)propionic acid Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=C2C(=C1)C3=CC=CC=C3N2)(C(=O)O)NC(=O)OC4C5CC6CC(C5)CC4C6

Isomeric SMILES

CC(C1=NC=C2C(=C1)C3=CC=CC=C3N2)(C(=O)O)NC(=O)OC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C25H27N3O4/c1-25(23(29)30,21-11-18-17-4-2-3-5-19(17)27-20(18)12-26-21)28-24(31)32-22-15-7-13-6-14(9-15)10-16(22)8-13/h2-5,11-16,22,27H,6-10H2,1H3,(H,28,31)(H,29,30)