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3-phenylpropanoic acid; 1-(sulfanylmethyl)cycloheptane-1-carboxamide

3-phenylpropanoic acid; 1-(sulfanylmethyl)cycloheptane-1-carboxamide

Systemtic Name:3-phenylpropanoic acid; 1-(sulfanylmethyl)cycloheptane-1-carboxamide
Openeye Name:3-phenylpropanoic acid; 1-(sulfanylmethyl)cycloheptanecarboxamide
CAS Name:1-(mercaptomethyl)-1-cycloheptanecarboxamide; 3-phenylpropanoic acid
IUPAC Name:3-phenylpropanoic acid; 1-(sulfanylmethyl)cycloheptane-1-carboxamide
Traditional Name:hydrocinnamic acid; 1-(mercaptomethyl)cycloheptanecarboxamide
Formula: C18H27NO3S
MolecularWeight: 337.47688
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CS)C(=O)N.C1=CC=C(C=C1)CCC(=O)O


Isomeric SMILES

C1CCCC(CC1)(CS)C(=O)N.C1=CC=C(C=C1)CCC(=O)O


InChI

InChI=1S/C9H17NOS.C9H10O2/c10-8(11)9(7-12)5-3-1-2-4-6-9;10-9(11)7-6-8-4-2-1-3-5-8/h12H,1-7H2,(H2,10,11);1-5H,6-7H2,(H,10,11)


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