3,3-dimethyl-N-(3-morpholin-4-ylpropyl)-N-[(2E)-2-(phenylmethylidene)heptyl]butanamide

Systemtic Name: 3,3-dimethyl-N-(3-morpholin-4-ylpropyl)-N-[(2E)-2-(phenylmethylidene)heptyl]butanamide Openeye Name: N-[(2E)-2-benzylideneheptyl]-3,3-dimethyl-N-(3-morpholinopropyl)butanamide CAS Name: 3,3-dimethyl-N-[3-(4-morpholinyl)propyl]-N-[(2E)-2-(phenylmethylene)heptyl]butanamide IUPAC Name: N-[(2E)-2-benzylideneheptyl]-3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butanamide Traditional Name: N-[(E)-2-amyl-3-phenyl-allyl]-3,3-dimethyl-N-(3-morpholinopropyl)butyramide Formula: C27H44N2O2 MolecularWeight: 428.65046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=CC1=CC=CC=C1)CN(CCCN2CCOCC2)C(=O)CC(C)(C)C

Isomeric SMILES

CCCCC/C(=C\C1=CC=CC=C1)/CN(CCCN2CCOCC2)C(=O)CC(C)(C)C

InChI

InChI=1S/C27H44N2O2/c1-5-6-8-14-25(21-24-12-9-7-10-13-24)23-29(26(30)22-27(2,3)4)16-11-15-28-17-19-31-20-18-28/h7,9-10,12-13,21H,5-6,8,11,14-20,22-23H2,1-4H3/b25-21+