tert-butyl 4-[[3-[(E)-2-cyanoethenyl]-6-(cyclopentylmethylcarbamoyl)indol-1-yl]methyl]-3-methoxy-benzoate

Systemtic Name: tert-butyl 4-[[3-[(E)-2-cyanoethenyl]-6-(cyclopentylmethylcarbamoyl)indol-1-yl]methyl]-3-methoxy-benzoate Openeye Name: tert-butyl 4-[[3-[(E)-2-cyanovinyl]-6-(cyclopentylmethylcarbamoyl)indol-1-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[3-[(E)-2-cyanoethenyl]-6-[(cyclopentylmethylamino)-oxomethyl]-1-indolyl]methyl]-3-methoxybenzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-[(E)-2-cyanoethenyl]-6-(cyclopentylmethylcarbamoyl)indol-1-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[3-[(E)-2-cyanovinyl]-6-(cyclopentylmethylcarbamoyl)indol-1-yl]methyl]-3-methoxy-benzoic acid tert-butyl ester Formula: C31H35N3O4 MolecularWeight: 513.6273

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C=C1)CN2C=C(C3=C2C=C(C=C3)C(=O)NCC4CCCC4)C=CC#N)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C=C1)CN2C=C(C3=C2C=C(C=C3)C(=O)NCC4CCCC4)/C=C/C#N)OC

InChI

InChI=1S/C31H35N3O4/c1-31(2,3)38-30(36)23-11-12-25(28(17-23)37-4)20-34-19-24(10-7-15-32)26-14-13-22(16-27(26)34)29(35)33-18-21-8-5-6-9-21/h7,10-14,16-17,19,21H,5-6,8-9,18,20H2,1-4H3,(H,33,35)/b10-7+