methyl 4-[[5-(2-ethylbutylcarbamoyl)-1-propyl-indol-3-yl]methyl]-3-methoxy-benzoate

Systemtic Name: methyl 4-[[5-(2-ethylbutylcarbamoyl)-1-propyl-indol-3-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[5-(2-ethylbutylcarbamoyl)-1-propyl-indol-3-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[5-[(2-ethylbutylamino)-oxomethyl]-1-propyl-3-indolyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[5-(2-ethylbutylcarbamoyl)-1-propylindol-3-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[5-(2-ethylbutylcarbamoyl)-1-propyl-indol-3-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C28H36N2O4 MolecularWeight: 464.59644

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=C1C=CC(=C2)C(=O)NCC(CC)CC)CC3=C(C=C(C=C3)C(=O)OC)OC

Isomeric SMILES

CCCN1C=C(C2=C1C=CC(=C2)C(=O)NCC(CC)CC)CC3=C(C=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C28H36N2O4/c1-6-13-30-18-23(14-20-9-10-22(28(32)34-5)16-26(20)33-4)24-15-21(11-12-25(24)30)27(31)29-17-19(7-2)8-3/h9-12,15-16,18-19H,6-8,13-14,17H2,1-5H3,(H,29,31)