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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CC=C1)N(C=C2C3=CCN(CC3)CC4=CC=CC=C4)C(=O)CCC#C

Isomeric SMILES

COC(=O)C1=C2C(=CC=C1)N(C=C2C3=CCN(CC3)CC4=CC=CC=C4)C(=O)CCC#C

InChI

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