tert-butyl 3-[[4-diethoxyphosphoryloxy-1-(phenylmethyl)-3,6-dihydro-2H-pyridin-3-yl]methyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[[4-diethoxyphosphoryloxy-1-(phenylmethyl)-3,6-dihydro-2H-pyridin-3-yl]methyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(1-benzyl-4-diethoxyphosphoryloxy-3,6-dihydro-2H-pyridin-3-yl)methyl]indole-1-carboxylate CAS Name: 3-[[4-diethoxyphosphoryloxy-1-(phenylmethyl)-3,6-dihydro-2H-pyridin-3-yl]methyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(1-benzyl-4-diethoxyphosphoryloxy-3,6-dihydro-2H-pyridin-3-yl)methyl]indole-1-carboxylate Traditional Name: 3-[(1-benzyl-4-diethoxyphosphoryloxy-3,6-dihydro-2H-pyridin-3-yl)methyl]indole-1-carboxylic acid tert-butyl ester Formula: C30H39N2O6P MolecularWeight: 554.614221

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OCC)OC1=CCN(CC1CC2=CN(C3=CC=CC=C32)C(=O)OC(C)(C)C)CC4=CC=CC=C4

Isomeric SMILES

CCOP(=O)(OCC)OC1=CCN(CC1CC2=CN(C3=CC=CC=C32)C(=O)OC(C)(C)C)CC4=CC=CC=C4

InChI

InChI=1S/C30H39N2O6P/c1-6-35-39(34,36-7-2)38-28-17-18-31(20-23-13-9-8-10-14-23)21-25(28)19-24-22-32(29(33)37-30(3,4)5)27-16-12-11-15-26(24)27/h8-17,22,25H,6-7,18-21H2,1-5H3