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

Systemtic Name: methyl 2-(2-adamantyloxycarbonylamino)-2-(9H-pyrido[3,4-b]indol-3-yl)propanoate Openeye Name: methyl 2-(2-adamantyloxycarbonylamino)-2-(9H-pyrido[3,4-b]indol-3-yl)propanoate CAS Name: 2-[[2-adamantyloxy(oxo)methyl]amino]-2-(9H-pyrido[3,4-b]indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-(2-adamantyloxycarbonylamino)-2-(9H-pyrido[3,4-b]indol-3-yl)propanoate Traditional Name: 2-(2-adamantyloxycarbonylamino)-2-(9H-$b-carbolin-3-yl)propionic acid methyl ester Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O4/c1-26(24(30)32-2,22-12-19-18-5-3-4-6-20(18)28-21(19)13-27-22)29-25(31)33-23-16-8-14-7-15(10-16)11-17(23)9-14/h3-6,12-17,23,28H,7-11H2,1-2H3,(H,29,31)