heptan-2-yl 3-benzamidobutanoate

Systemtic Name: heptan-2-yl 3-benzamidobutanoate Openeye Name: 1-methylhexyl 3-benzamidobutanoate CAS Name: 3-benzamidobutanoic acid heptan-2-yl ester IUPAC Name: heptan-2-yl 3-benzamidobutanoate Traditional Name: 3-benzamidobutyric acid 1-methylhexyl ester Formula: C18H27NO3 MolecularWeight: 305.41188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)OC(=O)CC(C)NC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCC(C)OC(=O)CC(C)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C18H27NO3/c1-4-5-7-10-15(3)22-17(20)13-14(2)19-18(21)16-11-8-6-9-12-16/h6,8-9,11-12,14-15H,4-5,7,10,13H2,1-3H3,(H,19,21)