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

Systemtic Name: 3-(4-methoxycarbonylphenyl)-3-(phenethylamino)-2-[(phenethylamino)methyl]propanoic acid Openeye Name: 3-(4-methoxycarbonylphenyl)-3-(phenethylamino)-2-[(phenethylamino)methyl]propanoic acid CAS Name: 3-(4-methoxycarbonylphenyl)-3-(phenethylamino)-2-[(phenethylamino)methyl]propanoic acid IUPAC Name: 3-(4-methoxycarbonylphenyl)-3-(phenethylamino)-2-[(phenethylamino)methyl]propanoic acid Traditional Name: 3-(4-carbomethoxyphenyl)-3-(phenethylamino)-2-[(phenethylamino)methyl]propionic acid Formula: C28H32N2O4 MolecularWeight: 460.56468

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(C(CNCCC2=CC=CC=C2)C(=O)O)NCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(C(CNCCC2=CC=CC=C2)C(=O)O)NCCC3=CC=CC=C3

InChI

InChI=1S/C28H32N2O4/c1-34-28(33)24-14-12-23(13-15-24)26(30-19-17-22-10-6-3-7-11-22)25(27(31)32)20-29-18-16-21-8-4-2-5-9-21/h2-15,25-26,29-30H,16-20H2,1H3,(H,31,32)