4-[[[3-(3-chloranyl-3-phenyl-prop-1-ynyl)phenyl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[3-(3-chloranyl-3-phenyl-prop-1-ynyl)phenyl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[3-(3-chloro-3-phenyl-prop-1-ynyl)benzoyl]amino]methyl]benzoic acid CAS Name: 4-[[[[3-(3-chloro-3-phenylprop-1-ynyl)phenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[3-(3-chloro-3-phenylprop-1-ynyl)benzoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[3-(3-chloro-3-phenyl-prop-1-ynyl)benzoyl]amino]methyl]benzoic acid Formula: C24H18ClNO3 MolecularWeight: 403.85762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C#CC2=CC(=CC=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(C#CC2=CC(=CC=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O)Cl

InChI

InChI=1S/C24H18ClNO3/c25-22(19-6-2-1-3-7-19)14-11-17-5-4-8-21(15-17)23(27)26-16-18-9-12-20(13-10-18)24(28)29/h1-10,12-13,15,22H,16H2,(H,26,27)(H,28,29)