methyl 4-[[6-aminocarbonyl-3-(2-methylpropanoyl)-2-propyl-indol-1-yl]methyl]-3-chloranyl-benzoate

Systemtic Name: methyl 4-[[6-aminocarbonyl-3-(2-methylpropanoyl)-2-propyl-indol-1-yl]methyl]-3-chloranyl-benzoate Openeye Name: methyl 4-[[6-carbamoyl-3-(2-methylpropanoyl)-2-propyl-indol-1-yl]methyl]-3-chloro-benzoate CAS Name: 4-[[6-carbamoyl-3-(2-methyl-1-oxopropyl)-2-propyl-1-indolyl]methyl]-3-chlorobenzoic acid methyl ester IUPAC Name: methyl 4-[[6-carbamoyl-3-(2-methylpropanoyl)-2-propylindol-1-yl]methyl]-3-chlorobenzoate Traditional Name: 4-[(6-carbamoyl-3-isobutyryl-2-propyl-indol-1-yl)methyl]-3-chloro-benzoic acid methyl ester Formula: C25H27ClN2O4 MolecularWeight: 454.94588

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(N1CC3=C(C=C(C=C3)C(=O)OC)Cl)C=C(C=C2)C(=O)N)C(=O)C(C)C

Isomeric SMILES

CCCC1=C(C2=C(N1CC3=C(C=C(C=C3)C(=O)OC)Cl)C=C(C=C2)C(=O)N)C(=O)C(C)C

InChI

InChI=1S/C25H27ClN2O4/c1-5-6-20-22(23(29)14(2)3)18-10-9-15(24(27)30)12-21(18)28(20)13-17-8-7-16(11-19(17)26)25(31)32-4/h7-12,14H,5-6,13H2,1-4H3,(H2,27,30)