(phenylmethyl) (1R,3S)-1-(1-adamantylmethyl)-2-ethanoyl-6-methyl-9-(phenylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: (phenylmethyl) (1R,3S)-1-(1-adamantylmethyl)-2-ethanoyl-6-methyl-9-(phenylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylate Openeye Name: benzyl (1R,3S)-2-acetyl-1-(1-adamantylmethyl)-9-benzyl-6-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylate CAS Name: (1R,3S)-2-acetyl-1-(1-adamantylmethyl)-6-methyl-9-(phenylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (1R,3S)-2-acetyl-1-(1-adamantylmethyl)-9-benzyl-6-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylate Traditional Name: (1R,3S)-2-acetyl-1-(1-adamantylmethyl)-9-benzyl-6-methyl-3,4-dihydro-1H-$b-carboline-3-carboxylic acid benzyl ester Formula: C40H44N2O3 MolecularWeight: 600.78896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C3=C2CC(N(C3CC45CC6CC(C4)CC(C6)C5)C(=O)C)C(=O)OCC7=CC=CC=C7)CC8=CC=CC=C8

Isomeric SMILES

CC1=CC2=C(C=C1)N(C3=C2C[C@H](N([C@@H]3CC45CC6CC(C4)CC(C6)C5)C(=O)C)C(=O)OCC7=CC=CC=C7)CC8=CC=CC=C8

InChI

InChI=1S/C40H44N2O3/c1-26-13-14-35-33(15-26)34-19-36(39(44)45-25-29-11-7-4-8-12-29)42(27(2)43)37(38(34)41(35)24-28-9-5-3-6-10-28)23-40-20-30-16-31(21-40)18-32(17-30)22-40/h3-15,30-32,36-37H,16-25H2,1-2H3/t30?,31?,32?,36-,37+,40?/m0/s1