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

Systemtic Name: methyl 4-[[6-(2-ethylbutylcarbamoyl)-3-propyl-indol-1-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[6-(2-ethylbutylcarbamoyl)-3-propyl-indol-1-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[6-[(2-ethylbutylamino)-oxomethyl]-3-propyl-1-indolyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[6-(2-ethylbutylcarbamoyl)-3-propylindol-1-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[6-(2-ethylbutylcarbamoyl)-3-propyl-indol-1-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C28H36N2O4 MolecularWeight: 464.59644

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN(C2=C1C=CC(=C2)C(=O)NCC(CC)CC)CC3=C(C=C(C=C3)C(=O)OC)OC

Isomeric SMILES

CCCC1=CN(C2=C1C=CC(=C2)C(=O)NCC(CC)CC)CC3=C(C=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C28H36N2O4/c1-6-9-22-17-30(18-23-11-10-21(28(32)34-5)15-26(23)33-4)25-14-20(12-13-24(22)25)27(31)29-16-19(7-2)8-3/h10-15,17,19H,6-9,16,18H2,1-5H3,(H,29,31)