2-[3-(4-methoxyphenyl)prop-2-ynyl-(phenylmethyl)amino]benzoic acid

Systemtic Name: 2-[3-(4-methoxyphenyl)prop-2-ynyl-(phenylmethyl)amino]benzoic acid Openeye Name: 2-[benzyl-[3-(4-methoxyphenyl)prop-2-ynyl]amino]benzoic acid CAS Name: 2-[3-(4-methoxyphenyl)prop-2-ynyl-(phenylmethyl)amino]benzoic acid IUPAC Name: 2-[benzyl-[3-(4-methoxyphenyl)prop-2-ynyl]amino]benzoic acid Traditional Name: 2-[benzyl-[3-(4-methoxyphenyl)prop-2-ynyl]amino]benzoic acid Formula: C24H21NO3 MolecularWeight: 371.42844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C#CCN(CC2=CC=CC=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C#CCN(CC2=CC=CC=C2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C24H21NO3/c1-28-21-15-13-19(14-16-21)10-7-17-25(18-20-8-3-2-4-9-20)23-12-6-5-11-22(23)24(26)27/h2-6,8-9,11-16H,17-18H2,1H3,(H,26,27)