1-(1-adamantylmethyl)-2-ethanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 1-(1-adamantylmethyl)-2-ethanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 2-acetyl-1-(1-adamantylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid CAS Name: 2-acetyl-1-(1-adamantylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 2-acetyl-1-(1-adamantylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 2-acetyl-1-(1-adamantylmethyl)-1,3,4,9-tetrahydro-$b-carboline-3-carboxylic acid Formula: C25H30N2O3 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC2=C(C1CC34CC5CC(C3)CC(C5)C4)NC6=CC=CC=C26)C(=O)O

Isomeric SMILES

CC(=O)N1C(CC2=C(C1CC34CC5CC(C3)CC(C5)C4)NC6=CC=CC=C26)C(=O)O

InChI

InChI=1S/C25H30N2O3/c1-14(28)27-21(24(29)30)9-19-18-4-2-3-5-20(18)26-23(19)22(27)13-25-10-15-6-16(11-25)8-17(7-15)12-25/h2-5,15-17,21-22,26H,6-13H2,1H3,(H,29,30)