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

Systemtic Name: methyl 4-[[3-ethanoyl-6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[3-acetyl-6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[3-acetyl-6-[(2-ethyl-1-oxohexyl)amino]-1-indolyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[3-acetyl-6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[3-acetyl-6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C28H34N2O5 MolecularWeight: 478.57996

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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)OC)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O5/c1-6-8-9-19(7-2)27(32)29-22-12-13-23-24(18(3)31)17-30(25(23)15-22)16-21-11-10-20(28(33)35-5)14-26(21)34-4/h10-15,17,19H,6-9,16H2,1-5H3,(H,29,32)