methyl 4-azanyl-2-[azanyl-[3-(4-hydroxyphenyl)propyl]amino]-2-butan-2-yl-octanoate

Systemtic Name: methyl 4-azanyl-2-[azanyl-[3-(4-hydroxyphenyl)propyl]amino]-2-butan-2-yl-octanoate Openeye Name: methyl 4-amino-2-[amino-[3-(4-hydroxyphenyl)propyl]amino]-2-sec-butyl-octanoate CAS Name: 4-amino-2-[amino-[3-(4-hydroxyphenyl)propyl]amino]-2-butan-2-yloctanoic acid methyl ester IUPAC Name: methyl 4-amino-2-[amino-[3-(4-hydroxyphenyl)propyl]amino]-2-butan-2-yloctanoate Traditional Name: 4-amino-2-[amino-[3-(4-hydroxyphenyl)propyl]amino]-2-sec-butyl-caprylic acid methyl ester Formula: C22H39N3O3 MolecularWeight: 393.56336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(C(C)CC)(C(=O)OC)N(CCCC1=CC=C(C=C1)O)N)N

Isomeric SMILES

CCCCC(CC(C(C)CC)(C(=O)OC)N(CCCC1=CC=C(C=C1)O)N)N

InChI

InChI=1S/C22H39N3O3/c1-5-7-10-19(23)16-22(17(3)6-2,21(27)28-4)25(24)15-8-9-18-11-13-20(26)14-12-18/h11-14,17,19,26H,5-10,15-16,23-24H2,1-4H3