methyl 2-(1-acetyloxypropyl)-1-[(2-chlorophenyl)methyl]-3-(2-methylpropanoyl)indole-6-carboxylate

Systemtic Name: methyl 2-(1-acetyloxypropyl)-1-[(2-chlorophenyl)methyl]-3-(2-methylpropanoyl)indole-6-carboxylate Openeye Name: methyl 2-(1-acetoxypropyl)-1-[(2-chlorophenyl)methyl]-3-(2-methylpropanoyl)indole-6-carboxylate CAS Name: 2-(1-acetyloxypropyl)-1-[(2-chlorophenyl)methyl]-3-(2-methyl-1-oxopropyl)-6-indolecarboxylic acid methyl ester IUPAC Name: methyl 2-(1-acetyloxypropyl)-1-[(2-chlorophenyl)methyl]-3-(2-methylpropanoyl)indole-6-carboxylate Traditional Name: 2-(1-acetoxypropyl)-1-(2-chlorobenzyl)-3-isobutyryl-indole-6-carboxylic acid methyl ester Formula: C26H28ClNO5 MolecularWeight: 469.95722

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C2=C(N1CC3=CC=CC=C3Cl)C=C(C=C2)C(=O)OC)C(=O)C(C)C)OC(=O)C

Isomeric SMILES

CCC(C1=C(C2=C(N1CC3=CC=CC=C3Cl)C=C(C=C2)C(=O)OC)C(=O)C(C)C)OC(=O)C

InChI

InChI=1S/C26H28ClNO5/c1-6-22(33-16(4)29)24-23(25(30)15(2)3)19-12-11-17(26(31)32-5)13-21(19)28(24)14-18-9-7-8-10-20(18)27/h7-13,15,22H,6,14H2,1-5H3