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

Systemtic Name: methyl 1-pent-4-ynoyl-3-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-5-yl]indole-5-carboxylate Openeye Name: methyl 3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-1-pent-4-ynoyl-indole-5-carboxylate CAS Name: 1-(1-oxopent-4-ynyl)-3-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-5-yl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-1-pent-4-ynoylindole-5-carboxylate Traditional Name: 3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-1-pent-4-ynoyl-indole-5-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)N(C=C2C3=CCCN(C3)CC4=CC=CC=C4)C(=O)CCC#C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C=C2C3=CCCN(C3)CC4=CC=CC=C4)C(=O)CCC#C

InChI

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