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

Systemtic Name: 3-(4-methoxycarbonylphenyl)-3-(pentylamino)-2-[(pentylamino)methyl]propanoic acid Openeye Name: 3-(4-methoxycarbonylphenyl)-3-(pentylamino)-2-[(pentylamino)methyl]propanoic acid CAS Name: 3-(4-methoxycarbonylphenyl)-3-(pentylamino)-2-[(pentylamino)methyl]propanoic acid IUPAC Name: 3-(4-methoxycarbonylphenyl)-3-(pentylamino)-2-[(pentylamino)methyl]propanoic acid Traditional Name: 3-(amylamino)-2-[(amylamino)methyl]-3-(4-carbomethoxyphenyl)propionic acid Formula: C22H36N2O4 MolecularWeight: 392.53224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNCC(C(C1=CC=C(C=C1)C(=O)OC)NCCCCC)C(=O)O

Isomeric SMILES

CCCCCNCC(C(C1=CC=C(C=C1)C(=O)OC)NCCCCC)C(=O)O

InChI

InChI=1S/C22H36N2O4/c1-4-6-8-14-23-16-19(21(25)26)20(24-15-9-7-5-2)17-10-12-18(13-11-17)22(27)28-3/h10-13,19-20,23-24H,4-9,14-16H2,1-3H3,(H,25,26)