ethyl 3-[[4-[[azanyl(heptan-3-yl)amino]methyl]phenyl]carbonylamino]propanoate

Systemtic Name: ethyl 3-[[4-[[azanyl(heptan-3-yl)amino]methyl]phenyl]carbonylamino]propanoate Openeye Name: ethyl 3-[[4-[[amino(1-ethylpentyl)amino]methyl]benzoyl]amino]propanoate CAS Name: 3-[[[4-[[amino(heptan-3-yl)amino]methyl]phenyl]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[[amino(heptan-3-yl)amino]methyl]benzoyl]amino]propanoate Traditional Name: 3-[[4-[[amino(1-ethylpentyl)amino]methyl]benzoyl]amino]propionic acid ethyl ester Formula: C20H33N3O3 MolecularWeight: 363.49432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)N(CC1=CC=C(C=C1)C(=O)NCCC(=O)OCC)N

Isomeric SMILES

CCCCC(CC)N(CC1=CC=C(C=C1)C(=O)NCCC(=O)OCC)N

InChI

InChI=1S/C20H33N3O3/c1-4-7-8-18(5-2)23(21)15-16-9-11-17(12-10-16)20(25)22-14-13-19(24)26-6-3/h9-12,18H,4-8,13-15,21H2,1-3H3,(H,22,25)