ethyl 2-(6-aminocarbonyl-1-methyl-indol-3-yl)-2-(1,3-benzodioxol-5-yl)ethanoate

Systemtic Name: ethyl 2-(6-aminocarbonyl-1-methyl-indol-3-yl)-2-(1,3-benzodioxol-5-yl)ethanoate Openeye Name: ethyl 2-(1,3-benzodioxol-5-yl)-2-(6-carbamoyl-1-methyl-indol-3-yl)acetate CAS Name: 2-(1,3-benzodioxol-5-yl)-2-(6-carbamoyl-1-methyl-3-indolyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzodioxol-5-yl)-2-(6-carbamoyl-1-methylindol-3-yl)acetate Traditional Name: 2-(1,3-benzodioxol-5-yl)-2-(6-carbamoyl-1-methyl-indol-3-yl)acetic acid ethyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC2=C(C=C1)OCO2)C3=CN(C4=C3C=CC(=C4)C(=O)N)C

Isomeric SMILES

CCOC(=O)C(C1=CC2=C(C=C1)OCO2)C3=CN(C4=C3C=CC(=C4)C(=O)N)C

InChI

InChI=1S/C21H20N2O5/c1-3-26-21(25)19(12-5-7-17-18(9-12)28-11-27-17)15-10-23(2)16-8-13(20(22)24)4-6-14(15)16/h4-10,19H,3,11H2,1-2H3,(H2,22,24)