methyl 4-[[3-ethenyl-6-(2-ethylbutylcarbamoyl)indol-1-yl]methyl]-3-methoxy-benzoate

Systemtic Name: methyl 4-[[3-ethenyl-6-(2-ethylbutylcarbamoyl)indol-1-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[6-(2-ethylbutylcarbamoyl)-3-vinyl-indol-1-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[3-ethenyl-6-[(2-ethylbutylamino)-oxomethyl]-1-indolyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[3-ethenyl-6-(2-ethylbutylcarbamoyl)indol-1-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[6-(2-ethylbutylcarbamoyl)-3-vinyl-indol-1-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CNC(=O)C1=CC2=C(C=C1)C(=CN2CC3=C(C=C(C=C3)C(=O)OC)OC)C=C

Isomeric SMILES

CCC(CC)CNC(=O)C1=CC2=C(C=C1)C(=CN2CC3=C(C=C(C=C3)C(=O)OC)OC)C=C

InChI

InChI=1S/C27H32N2O4/c1-6-18(7-2)15-28-26(30)20-11-12-23-19(8-3)16-29(24(23)13-20)17-22-10-9-21(27(31)33-5)14-25(22)32-4/h8-14,16,18H,3,6-7,15,17H2,1-2,4-5H3,(H,28,30)