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2-(octoxycarbonylamino)-5-(3-phenylpropyl)thiophene-3-carboxylic acid

2-(octoxycarbonylamino)-5-(3-phenylpropyl)thiophene-3-carboxylic acid

Systemtic Name:2-(octoxycarbonylamino)-5-(3-phenylpropyl)thiophene-3-carboxylic acid
Openeye Name:2-(octoxycarbonylamino)-5-(3-phenylpropyl)thiophene-3-carboxylic acid
CAS Name:2-[[octoxy(oxo)methyl]amino]-5-(3-phenylpropyl)-3-thiophenecarboxylic acid
IUPAC Name:2-(octoxycarbonylamino)-5-(3-phenylpropyl)thiophene-3-carboxylic acid
Traditional Name:2-(octoxycarbonylamino)-5-(3-phenylpropyl)-3-thenoic acid
Formula: C23H31NO4S
MolecularWeight: 417.56154
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)NC1=C(C=C(S1)CCCC2=CC=CC=C2)C(=O)O


Isomeric SMILES

CCCCCCCCOC(=O)NC1=C(C=C(S1)CCCC2=CC=CC=C2)C(=O)O


InChI

InChI=1S/C23H31NO4S/c1-2-3-4-5-6-10-16-28-23(27)24-21-20(22(25)26)17-19(29-21)15-11-14-18-12-8-7-9-13-18/h7-9,12-13,17H,2-6,10-11,14-16H2,1H3,(H,24,27)(H,25,26)


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