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

Systemtic Name: methyl 1-pent-4-ynoyl-3-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-4-yl]indole-6-carboxylate Openeye Name: methyl 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1-pent-4-ynoyl-indole-6-carboxylate CAS Name: 1-(1-oxopent-4-ynyl)-3-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-6-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1-pent-4-ynoylindole-6-carboxylate Traditional Name: 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1-pent-4-ynoyl-indole-6-carboxylic acid methyl ester Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=CN2C(=O)CCC#C)C3=CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=CN2C(=O)CCC#C)C3=CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O3/c1-3-4-10-26(30)29-19-24(23-12-11-22(17-25(23)29)27(31)32-2)21-13-15-28(16-14-21)18-20-8-6-5-7-9-20/h1,5-9,11-13,17,19H,4,10,14-16,18H2,2H3