methyl (Z)-2-[(E)-3-azanyl-3-oxidanylidene-1-pyridin-3-yl-prop-1-en-2-yl]-3-(3,5-dimethoxyphenyl)but-2-enoate

Systemtic Name: methyl (Z)-2-[(E)-3-azanyl-3-oxidanylidene-1-pyridin-3-yl-prop-1-en-2-yl]-3-(3,5-dimethoxyphenyl)but-2-enoate Openeye Name: methyl (Z)-2-[(E)-1-carbamoyl-2-(3-pyridyl)vinyl]-3-(3,5-dimethoxyphenyl)but-2-enoate CAS Name: (Z)-2-[(E)-3-amino-3-oxo-1-(3-pyridinyl)prop-1-en-2-yl]-3-(3,5-dimethoxyphenyl)-2-butenoic acid methyl ester IUPAC Name: methyl (Z)-2-[(E)-3-amino-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]-3-(3,5-dimethoxyphenyl)but-2-enoate Traditional Name: (Z)-2-[(E)-1-carbamoyl-2-(3-pyridyl)vinyl]-3-(3,5-dimethoxyphenyl)but-2-enoic acid methyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=CC1=CN=CC=C1)C(=O)N)C(=O)OC)C2=CC(=CC(=C2)OC)OC

Isomeric SMILES

C/C(=C(\C(=C/C1=CN=CC=C1)\C(=O)N)/C(=O)OC)/C2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C21H22N2O5/c1-13(15-9-16(26-2)11-17(10-15)27-3)19(21(25)28-4)18(20(22)24)8-14-6-5-7-23-12-14/h5-12H,1-4H3,(H2,22,24)/b18-8+,19-13-