diethyl 2-[4-[(2S)-2-azanyl-3-oxidanylidene-3-(pentylamino)propyl]phenoxy]propanedioate

Systemtic Name: diethyl 2-[4-[(2S)-2-azanyl-3-oxidanylidene-3-(pentylamino)propyl]phenoxy]propanedioate Openeye Name: diethyl 2-[4-[(2S)-2-amino-3-oxo-3-(pentylamino)propyl]phenoxy]propanedioate CAS Name: 2-[4-[(2S)-2-amino-3-oxo-3-(pentylamino)propyl]phenoxy]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[4-[(2S)-2-amino-3-oxo-3-(pentylamino)propyl]phenoxy]propanedioate Traditional Name: 2-[4-[(2S)-2-amino-3-(amylamino)-3-keto-propyl]phenoxy]malonic acid diethyl ester Formula: C21H32N2O6 MolecularWeight: 408.48858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(CC1=CC=C(C=C1)OC(C(=O)OCC)C(=O)OCC)N

Isomeric SMILES

CCCCCNC(=O)[C@H](CC1=CC=C(C=C1)OC(C(=O)OCC)C(=O)OCC)N

InChI

InChI=1S/C21H32N2O6/c1-4-7-8-13-23-19(24)17(22)14-15-9-11-16(12-10-15)29-18(20(25)27-5-2)21(26)28-6-3/h9-12,17-18H,4-8,13-14,22H2,1-3H3,(H,23,24)/t17-/m0/s1