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

Systemtic Name: methyl 4-[[3-but-2-ynyl-6-(2-ethylbutylcarbamoyl)indol-1-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[3-but-2-ynyl-6-(2-ethylbutylcarbamoyl)indol-1-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[3-but-2-ynyl-6-[(2-ethylbutylamino)-oxomethyl]-1-indolyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[3-but-2-ynyl-6-(2-ethylbutylcarbamoyl)indol-1-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[3-but-2-ynyl-6-(2-ethylbutylcarbamoyl)indol-1-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C29H34N2O4 MolecularWeight: 474.59126

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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)CC#CC

Isomeric SMILES

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

InChI

InChI=1S/C29H34N2O4/c1-6-9-10-23-18-31(19-24-12-11-22(29(33)35-5)16-27(24)34-4)26-15-21(13-14-25(23)26)28(32)30-17-20(7-2)8-3/h11-16,18,20H,7-8,10,17,19H2,1-5H3,(H,30,32)