(phenylmethyl) 1-pent-4-ynoyl-3-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-4-yl]indole-5-carboxylate

Systemtic Name: (phenylmethyl) 1-pent-4-ynoyl-3-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-4-yl]indole-5-carboxylate Openeye Name: benzyl 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1-pent-4-ynoyl-indole-5-carboxylate CAS Name: 1-(1-oxopent-4-ynyl)-3-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1-pent-4-ynoylindole-5-carboxylate Traditional Name: 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1-pent-4-ynoyl-indole-5-carboxylic acid benzyl ester Formula: C33H30N2O3 MolecularWeight: 502.6029

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCC(=O)N1C=C(C2=C1C=CC(=C2)C(=O)OCC3=CC=CC=C3)C4=CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C#CCCC(=O)N1C=C(C2=C1C=CC(=C2)C(=O)OCC3=CC=CC=C3)C4=CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C33H30N2O3/c1-2-3-14-32(36)35-23-30(27-17-19-34(20-18-27)22-25-10-6-4-7-11-25)29-21-28(15-16-31(29)35)33(37)38-24-26-12-8-5-9-13-26/h1,4-13,15-17,21,23H,3,14,18-20,22,24H2