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

Systemtic Name: (phenylmethyl) (1R,3S)-1-(1-adamantylmethyl)-2-ethanoyl-6-methoxy-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-methoxy-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylate CAS Name: (1R,3S)-2-acetyl-1-(1-adamantylmethyl)-6-methoxy-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-methoxy-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylate Traditional Name: (1R,3S)-2-acetyl-1-(1-adamantylmethyl)-9-benzyl-6-methoxy-3,4-dihydro-1H-$b-carboline-3-carboxylic acid benzyl ester Formula: C40H44N2O4 MolecularWeight: 616.78836

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC2=C(C1CC34CC5CC(C3)CC(C5)C4)N(C6=C2C=C(C=C6)OC)CC7=CC=CC=C7)C(=O)OCC8=CC=CC=C8

Isomeric SMILES

CC(=O)N1[C@@H](CC2=C([C@H]1CC34CC5CC(C3)CC(C5)C4)N(C6=C2C=C(C=C6)OC)CC7=CC=CC=C7)C(=O)OCC8=CC=CC=C8

InChI

InChI=1S/C40H44N2O4/c1-26(43)42-36(39(44)46-25-28-11-7-4-8-12-28)19-34-33-18-32(45-2)13-14-35(33)41(24-27-9-5-3-6-10-27)38(34)37(42)23-40-20-29-15-30(21-40)17-31(16-29)22-40/h3-14,18,29-31,36-37H,15-17,19-25H2,1-2H3/t29?,30?,31?,36-,37+,40?/m0/s1