dibutyl 2-[5-(3,3-dimethyl-2-methylidene-indol-1-yl)pentanoylamino]butanedioate

Systemtic Name: dibutyl 2-[5-(3,3-dimethyl-2-methylidene-indol-1-yl)pentanoylamino]butanedioate Openeye Name: dibutyl 2-[5-(3,3-dimethyl-2-methylene-indolin-1-yl)pentanoylamino]butanedioate CAS Name: 2-[[5-(3,3-dimethyl-2-methylene-1-indolyl)-1-oxopentyl]amino]butanedioic acid dibutyl ester IUPAC Name: dibutyl 2-[5-(3,3-dimethyl-2-methylideneindol-1-yl)pentanoylamino]butanedioate Traditional Name: 2-[5-(3,3-dimethyl-2-methylene-indolin-1-yl)pentanoylamino]succinic acid dibutyl ester Formula: C28H42N2O5 MolecularWeight: 486.64348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC(C(=O)OCCCC)NC(=O)CCCCN1C(=C)C(C2=CC=CC=C21)(C)C

Isomeric SMILES

CCCCOC(=O)CC(C(=O)OCCCC)NC(=O)CCCCN1C(=C)C(C2=CC=CC=C21)(C)C

InChI

InChI=1S/C28H42N2O5/c1-6-8-18-34-26(32)20-23(27(33)35-19-9-7-2)29-25(31)16-12-13-17-30-21(3)28(4,5)22-14-10-11-15-24(22)30/h10-11,14-15,23H,3,6-9,12-13,16-20H2,1-2,4-5H3,(H,29,31)