methyl 3-[3-[4-(3-azanylpropylamino)butylamino]propylamino]-3-(4-methoxyphenyl)propanoate

Systemtic Name: methyl 3-[3-[4-(3-azanylpropylamino)butylamino]propylamino]-3-(4-methoxyphenyl)propanoate Openeye Name: methyl 3-[3-[4-(3-aminopropylamino)butylamino]propylamino]-3-(4-methoxyphenyl)propanoate CAS Name: 3-[3-[4-(3-aminopropylamino)butylamino]propylamino]-3-(4-methoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-[3-[4-(3-aminopropylamino)butylamino]propylamino]-3-(4-methoxyphenyl)propanoate Traditional Name: 3-[3-[4-(3-aminopropylamino)butylamino]propylamino]-3-(4-methoxyphenyl)propionic acid methyl ester Formula: C21H38N4O3 MolecularWeight: 394.55142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC(=O)OC)NCCCNCCCCNCCCN

Isomeric SMILES

COC1=CC=C(C=C1)C(CC(=O)OC)NCCCNCCCCNCCCN

InChI

InChI=1S/C21H38N4O3/c1-27-19-9-7-18(8-10-19)20(17-21(26)28-2)25-16-6-15-24-13-4-3-12-23-14-5-11-22/h7-10,20,23-25H,3-6,11-17,22H2,1-2H3