tert-butyl N-[1-[(2-chlorophenyl)methyl]-3-(2-methylpropanoyl)-2-propyl-indol-6-yl]carbamate

Systemtic Name: tert-butyl N-[1-[(2-chlorophenyl)methyl]-3-(2-methylpropanoyl)-2-propyl-indol-6-yl]carbamate Openeye Name: tert-butyl N-[1-[(2-chlorophenyl)methyl]-3-(2-methylpropanoyl)-2-propyl-indol-6-yl]carbamate CAS Name: N-[1-[(2-chlorophenyl)methyl]-3-(2-methyl-1-oxopropyl)-2-propyl-6-indolyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[(2-chlorophenyl)methyl]-3-(2-methylpropanoyl)-2-propylindol-6-yl]carbamate Traditional Name: N-[1-(2-chlorobenzyl)-3-isobutyryl-2-propyl-indol-6-yl]carbamic acid tert-butyl ester Formula: C27H33ClN2O3 MolecularWeight: 469.01552

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(N1CC3=CC=CC=C3Cl)C=C(C=C2)NC(=O)OC(C)(C)C)C(=O)C(C)C

Isomeric SMILES

CCCC1=C(C2=C(N1CC3=CC=CC=C3Cl)C=C(C=C2)NC(=O)OC(C)(C)C)C(=O)C(C)C

InChI

InChI=1S/C27H33ClN2O3/c1-7-10-22-24(25(31)17(2)3)20-14-13-19(29-26(32)33-27(4,5)6)15-23(20)30(22)16-18-11-8-9-12-21(18)28/h8-9,11-15,17H,7,10,16H2,1-6H3,(H,29,32)