ethyl 3-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 3-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-1H-indole-2-carboxylate CAS Name: 3-[[3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-1H-indole-2-carboxylate Traditional Name: 3-[[3-(1,3-benzodioxol-5-yl)acryloyl]amino]-1H-indole-2-carboxylic acid ethyl ester Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)C=CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H18N2O5/c1-2-26-21(25)20-19(14-5-3-4-6-15(14)22-20)23-18(24)10-8-13-7-9-16-17(11-13)28-12-27-16/h3-11,22H,2,12H2,1H3,(H,23,24)