tert-butyl 4-[[6-(cyclopentylmethylcarbamoyl)-3-(3-ethoxy-2-methyl-3-oxidanylidene-propyl)indol-1-yl]methyl]-3-methoxy-benzoate

Systemtic Name: tert-butyl 4-[[6-(cyclopentylmethylcarbamoyl)-3-(3-ethoxy-2-methyl-3-oxidanylidene-propyl)indol-1-yl]methyl]-3-methoxy-benzoate Openeye Name: tert-butyl 4-[[6-(cyclopentylmethylcarbamoyl)-3-(3-ethoxy-2-methyl-3-oxo-propyl)indol-1-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[6-[(cyclopentylmethylamino)-oxomethyl]-3-(3-ethoxy-2-methyl-3-oxopropyl)-1-indolyl]methyl]-3-methoxybenzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[6-(cyclopentylmethylcarbamoyl)-3-(3-ethoxy-2-methyl-3-oxopropyl)indol-1-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[6-(cyclopentylmethylcarbamoyl)-3-(3-ethoxy-3-keto-2-methyl-propyl)indol-1-yl]methyl]-3-methoxy-benzoic acid tert-butyl ester Formula: C34H44N2O6 MolecularWeight: 576.72296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)CC1=CN(C2=C1C=CC(=C2)C(=O)NCC3CCCC3)CC4=C(C=C(C=C4)C(=O)OC(C)(C)C)OC

Isomeric SMILES

CCOC(=O)C(C)CC1=CN(C2=C1C=CC(=C2)C(=O)NCC3CCCC3)CC4=C(C=C(C=C4)C(=O)OC(C)(C)C)OC

InChI

InChI=1S/C34H44N2O6/c1-7-41-32(38)22(2)16-27-21-36(20-26-13-12-25(18-30(26)40-6)33(39)42-34(3,4)5)29-17-24(14-15-28(27)29)31(37)35-19-23-10-8-9-11-23/h12-15,17-18,21-23H,7-11,16,19-20H2,1-6H3,(H,35,37)