methyl 5-bromanyl-3-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-bromanyl-3-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[[3-(3,4-dimethoxyphenyl)acryloyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C21H19BrN2O5 MolecularWeight: 459.28996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC2=C(NC3=C2C=C(C=C3)Br)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C=CC(=O)NC2=C(NC3=C2C=C(C=C3)Br)C(=O)OC)OC

InChI

InChI=1S/C21H19BrN2O5/c1-27-16-8-4-12(10-17(16)28-2)5-9-18(25)24-19-14-11-13(22)6-7-15(14)23-20(19)21(26)29-3/h4-11,23H,1-3H3,(H,24,25)