butyl 2,5-dimethyl-4-[(phenylmethyl)carbamoyl]hex-4-enoate

Systemtic Name: butyl 2,5-dimethyl-4-[(phenylmethyl)carbamoyl]hex-4-enoate Openeye Name: butyl 4-(benzylcarbamoyl)-2,5-dimethyl-hex-4-enoate CAS Name: 2,5-dimethyl-4-[oxo-[(phenylmethyl)amino]methyl]-4-hexenoic acid butyl ester IUPAC Name: butyl 4-(benzylcarbamoyl)-2,5-dimethylhex-4-enoate Traditional Name: 4-(benzylcarbamoyl)-2,5-dimethyl-hex-4-enoic acid butyl ester Formula: C20H29NO3 MolecularWeight: 331.44916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C)CC(=C(C)C)C(=O)NCC1=CC=CC=C1

Isomeric SMILES

CCCCOC(=O)C(C)CC(=C(C)C)C(=O)NCC1=CC=CC=C1

InChI

InChI=1S/C20H29NO3/c1-5-6-12-24-20(23)16(4)13-18(15(2)3)19(22)21-14-17-10-8-7-9-11-17/h7-11,16H,5-6,12-14H2,1-4H3,(H,21,22)