N-[3-benzamido-5,5-dimethyl-2-(phenylmethyl)cyclohexyl]benzamide; butane; titanium(2+)

Systemtic Name: N-[3-benzamido-5,5-dimethyl-2-(phenylmethyl)cyclohexyl]benzamide; butane; titanium(2+) Openeye Name: N-(3-benzamido-2-benzyl-5,5-dimethyl-cyclohexyl)benzamide; butane; titanium(2+) CAS Name: N-[3-benzamido-5,5-dimethyl-2-(phenylmethyl)cyclohexyl]benzamide; butane; titanium(2+) IUPAC Name: N-(3-benzamido-2-benzyl-5,5-dimethylcyclohexyl)benzamide; butane; titanium(2+) Traditional Name: N-(3-benzamido-2-benzyl-5,5-dimethyl-cyclohexyl)benzamide; butane; titanium(2+) Formula: C37H50N2O2Ti MolecularWeight: 602.6721

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Descriptors Computed from Structure

Canonical SMILES:

CCC[CH2-].CCC[CH2-].CC1(CC(C(C(C1)NC(=O)C2=CC=CC=C2)CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4)C.[Ti+2]

Isomeric SMILES

CCC[CH2-].CCC[CH2-].CC1(CC(C(C(C1)NC(=O)C2=CC=CC=C2)CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4)C.[Ti+2]

InChI

InChI=1S/C29H32N2O2.2C4H9.Ti/c1-29(2)19-25(30-27(32)22-14-8-4-9-15-22)24(18-21-12-6-3-7-13-21)26(20-29)31-28(33)23-16-10-5-11-17-23;2*1-3-4-2;/h3-17,24-26H,18-20H2,1-2H3,(H,30,32)(H,31,33);2*1,3-4H2,2H3;/q;2*-1;+2