ethyl 3-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-6-methoxy-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-6-methoxy-1H-indole-2-carboxylate Openeye Name: ethyl 3-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-6-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-6-methoxy-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-6-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[[3-(1,3-benzodioxol-5-yl)acryloyl]amino]-6-methoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=C(C=C2)OC)NC(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=C(C=C2)OC)NC(=O)C=CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H20N2O6/c1-3-28-22(26)21-20(15-7-6-14(27-2)11-16(15)23-21)24-19(25)9-5-13-4-8-17-18(10-13)30-12-29-17/h4-11,23H,3,12H2,1-2H3,(H,24,25)