2-[[(E)-3-(4-methoxyphenyl)-5-(4-propan-2-ylphenyl)pent-2-en-4-ynyl]-methyl-amino]ethanoic acid

Systemtic Name: 2-[[(E)-3-(4-methoxyphenyl)-5-(4-propan-2-ylphenyl)pent-2-en-4-ynyl]-methyl-amino]ethanoic acid Openeye Name: 2-[[(E)-5-(4-isopropylphenyl)-3-(4-methoxyphenyl)pent-2-en-4-ynyl]-methyl-amino]acetic acid CAS Name: 2-[[(E)-3-(4-methoxyphenyl)-5-(4-propan-2-ylphenyl)pent-2-en-4-ynyl]-methylamino]acetic acid IUPAC Name: 2-[[(E)-3-(4-methoxyphenyl)-5-(4-propan-2-ylphenyl)pent-2-en-4-ynyl]-methylamino]acetic acid Traditional Name: 2-[[(E)-3-(4-methoxyphenyl)-5-p-cumenyl-pent-2-en-4-ynyl]-methyl-amino]acetic acid Formula: C24H27NO3 MolecularWeight: 377.47608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C#CC(=CCN(C)CC(=O)O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C#C/C(=C/CN(C)CC(=O)O)/C2=CC=C(C=C2)OC

InChI

InChI=1S/C24H27NO3/c1-18(2)20-8-5-19(6-9-20)7-10-22(15-16-25(3)17-24(26)27)21-11-13-23(28-4)14-12-21/h5-6,8-9,11-15,18H,16-17H2,1-4H3,(H,26,27)/b22-15-