3-(4-methoxycarbonylphenyl)-3-[(phenylmethyl)amino]-2-[[(phenylmethyl)amino]methyl]propanoic acid

Systemtic Name: 3-(4-methoxycarbonylphenyl)-3-[(phenylmethyl)amino]-2-[[(phenylmethyl)amino]methyl]propanoic acid Openeye Name: 3-(benzylamino)-2-[(benzylamino)methyl]-3-(4-methoxycarbonylphenyl)propanoic acid CAS Name: 3-(4-methoxycarbonylphenyl)-3-[(phenylmethyl)amino]-2-[[(phenylmethyl)amino]methyl]propanoic acid IUPAC Name: 3-(benzylamino)-2-[(benzylamino)methyl]-3-(4-methoxycarbonylphenyl)propanoic acid Traditional Name: 3-(benzylamino)-2-[(benzylamino)methyl]-3-(4-carbomethoxyphenyl)propionic acid Formula: C26H28N2O4 MolecularWeight: 432.51152

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(C(CNCC2=CC=CC=C2)C(=O)O)NCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(C(CNCC2=CC=CC=C2)C(=O)O)NCC3=CC=CC=C3

InChI

InChI=1S/C26H28N2O4/c1-32-26(31)22-14-12-21(13-15-22)24(28-17-20-10-6-3-7-11-20)23(25(29)30)18-27-16-19-8-4-2-5-9-19/h2-15,23-24,27-28H,16-18H2,1H3,(H,29,30)