dimethyl 2-[[1-ethoxycarbonyl-4-[(E)-3-methylbut-1-enyl]indol-3-yl]methyl]propanedioate

Systemtic Name: dimethyl 2-[[1-ethoxycarbonyl-4-[(E)-3-methylbut-1-enyl]indol-3-yl]methyl]propanedioate Openeye Name: dimethyl 2-[[1-ethoxycarbonyl-4-[(E)-3-methylbut-1-enyl]indol-3-yl]methyl]propanedioate CAS Name: 2-[[1-ethoxycarbonyl-4-[(E)-3-methylbut-1-enyl]-3-indolyl]methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[1-ethoxycarbonyl-4-[(E)-3-methylbut-1-enyl]indol-3-yl]methyl]propanedioate Traditional Name: 2-[[1-carbethoxy-4-[(E)-3-methylbut-1-enyl]indol-3-yl]methyl]malonic acid dimethyl ester Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C=C(C2=C(C=CC=C21)C=CC(C)C)CC(C(=O)OC)C(=O)OC

Isomeric SMILES

CCOC(=O)N1C=C(C2=C(C=CC=C21)/C=C/C(C)C)CC(C(=O)OC)C(=O)OC

InChI

InChI=1S/C22H27NO6/c1-6-29-22(26)23-13-16(12-17(20(24)27-4)21(25)28-5)19-15(11-10-14(2)3)8-7-9-18(19)23/h7-11,13-14,17H,6,12H2,1-5H3/b11-10+