tert-butyl 4-[[6-(2-ethylhexanoylamino)-3-methanoyl-indol-1-yl]methyl]-3-methoxy-benzoate

Systemtic Name: tert-butyl 4-[[6-(2-ethylhexanoylamino)-3-methanoyl-indol-1-yl]methyl]-3-methoxy-benzoate Openeye Name: tert-butyl 4-[[6-(2-ethylhexanoylamino)-3-formyl-indol-1-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[6-[(2-ethyl-1-oxohexyl)amino]-3-formyl-1-indolyl]methyl]-3-methoxybenzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[6-(2-ethylhexanoylamino)-3-formylindol-1-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[6-(2-ethylhexanoylamino)-3-formyl-indol-1-yl]methyl]-3-methoxy-benzoic acid tert-butyl ester Formula: C30H38N2O5 MolecularWeight: 506.63312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)C(=CN2CC3=C(C=C(C=C3)C(=O)OC(C)(C)C)OC)C=O

Isomeric SMILES

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)C(=CN2CC3=C(C=C(C=C3)C(=O)OC(C)(C)C)OC)C=O

InChI

InChI=1S/C30H38N2O5/c1-7-9-10-20(8-2)28(34)31-24-13-14-25-23(19-33)18-32(26(25)16-24)17-22-12-11-21(15-27(22)36-6)29(35)37-30(3,4)5/h11-16,18-20H,7-10,17H2,1-6H3,(H,31,34)