methyl (E)-3-[4-(2-indol-1-yl-2-oxidanylidene-ethyl)-1-(phenylmethyl)-4H-pyridin-3-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[4-(2-indol-1-yl-2-oxidanylidene-ethyl)-1-(phenylmethyl)-4H-pyridin-3-yl]prop-2-enoate Openeye Name: methyl (E)-3-[1-benzyl-4-(2-indol-1-yl-2-oxo-ethyl)-4H-pyridin-3-yl]prop-2-enoate CAS Name: (E)-3-[4-[2-(1-indolyl)-2-oxoethyl]-1-(phenylmethyl)-4H-pyridin-3-yl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[1-benzyl-4-(2-indol-1-yl-2-oxoethyl)-4H-pyridin-3-yl]prop-2-enoate Traditional Name: (E)-3-[1-benzyl-4-(2-indol-1-yl-2-keto-ethyl)-4H-pyridin-3-yl]acrylic acid methyl ester Formula: C26H24N2O3 MolecularWeight: 412.48036

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=CN(C=CC1CC(=O)N2C=CC3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)/C=C/C1=CN(C=CC1CC(=O)N2C=CC3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C26H24N2O3/c1-31-26(30)12-11-23-19-27(18-20-7-3-2-4-8-20)15-13-22(23)17-25(29)28-16-14-21-9-5-6-10-24(21)28/h2-16,19,22H,17-18H2,1H3/b12-11+