3-[[4-chloranyl-2,5-bis(oxidanylidene)-1-phenethyl-pyrrol-3-yl]amino]-N-cyclododecyl-benzamide

Systemtic Name: 3-[[4-chloranyl-2,5-bis(oxidanylidene)-1-phenethyl-pyrrol-3-yl]amino]-N-cyclododecyl-benzamide Openeye Name: 3-[(4-chloro-2,5-dioxo-1-phenethyl-pyrrol-3-yl)amino]-N-cyclododecyl-benzamide CAS Name: 3-[(4-chloro-2,5-dioxo-1-phenethyl-3-pyrrolyl)amino]-N-cyclododecylbenzamide IUPAC Name: 3-[(4-chloro-2,5-dioxo-1-phenethylpyrrol-3-yl)amino]-N-cyclododecylbenzamide Traditional Name: 3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]-N-cyclododecyl-benzamide Formula: C31H38ClN3O3 MolecularWeight: 536.10472

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(CCCCC1)NC(=O)C2=CC(=CC=C2)NC3=C(C(=O)N(C3=O)CCC4=CC=CC=C4)Cl

Isomeric SMILES

C1CCCCCC(CCCCC1)NC(=O)C2=CC(=CC=C2)NC3=C(C(=O)N(C3=O)CCC4=CC=CC=C4)Cl

InChI

InChI=1S/C31H38ClN3O3/c32-27-28(31(38)35(30(27)37)21-20-23-14-9-8-10-15-23)33-26-19-13-16-24(22-26)29(36)34-25-17-11-6-4-2-1-3-5-7-12-18-25/h8-10,13-16,19,22,25,33H,1-7,11-12,17-18,20-21H2,(H,34,36)