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

Systemtic Name: 3-oxidanylpropyl 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoate Openeye Name: 3-hydroxypropyl 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoate CAS Name: 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoic acid 3-hydroxypropyl ester IUPAC Name: 3-hydroxypropyl 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoate Traditional Name: 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoic acid 3-hydroxypropyl ester Formula: C29H38ClNO3 MolecularWeight: 484.06992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CCCCCCCCCCCCNC2=CC=C(C=C2)C(=O)OCCCO)Cl

Isomeric SMILES

C1=CC(=CC=C1C#CCCCCCCCCCCCNC2=CC=C(C=C2)C(=O)OCCCO)Cl

InChI

InChI=1S/C29H38ClNO3/c30-27-18-14-25(15-19-27)13-10-8-6-4-2-1-3-5-7-9-11-22-31-28-20-16-26(17-21-28)29(33)34-24-12-23-32/h14-21,31-32H,1-9,11-12,22-24H2