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

Systemtic Name: methyl 4-[[5-(2-ethylhexylcarbamoyl)-1-methyl-indol-3-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[5-(2-ethylhexylcarbamoyl)-1-methyl-indol-3-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[5-[(2-ethylhexylamino)-oxomethyl]-1-methyl-3-indolyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[5-(2-ethylhexylcarbamoyl)-1-methylindol-3-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[5-(2-ethylhexylcarbamoyl)-1-methyl-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:

CCCCC(CC)CNC(=O)C1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)OC)OC)C

Isomeric SMILES

CCCCC(CC)CNC(=O)C1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)OC)OC)C

InChI

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