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butanoyl 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoate

butanoyl 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoate

Systemtic Name:butanoyl 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoate
Openeye Name:butanoyl 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoate
CAS Name:4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoic acid 1-oxobutyl ester
IUPAC Name:butanoyl 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoate
Traditional Name:4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoic acid butyryl ester
Formula: C30H38ClNO3
MolecularWeight: 496.08062
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(=O)C1=CC=C(C=C1)NCCCCCCCCCCCC#CC2=CC=C(C=C2)Cl


Isomeric SMILES

CCCC(=O)OC(=O)C1=CC=C(C=C1)NCCCCCCCCCCCC#CC2=CC=C(C=C2)Cl


InChI

InChI=1S/C30H38ClNO3/c1-2-14-29(33)35-30(34)26-18-22-28(23-19-26)32-24-13-11-9-7-5-3-4-6-8-10-12-15-25-16-20-27(31)21-17-25/h16-23,32H,2-11,13-14,24H2,1H3


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