diethyl 2-[ethanoyl-[[4-(pent-4-en-2-ylamino)phenyl]methyl]amino]propanedioate

Systemtic Name: diethyl 2-[ethanoyl-[[4-(pent-4-en-2-ylamino)phenyl]methyl]amino]propanedioate Openeye Name: diethyl 2-[acetyl-[[4-(1-methylbut-3-enylamino)phenyl]methyl]amino]propanedioate CAS Name: 2-[acetyl-[[4-(pent-4-en-2-ylamino)phenyl]methyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[acetyl-[[4-(pent-4-en-2-ylamino)phenyl]methyl]amino]propanedioate Traditional Name: 2-[acetyl-[4-(1-methylbut-3-enylamino)benzyl]amino]malonic acid diethyl ester Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)N(CC1=CC=C(C=C1)NC(C)CC=C)C(=O)C

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)N(CC1=CC=C(C=C1)NC(C)CC=C)C(=O)C

InChI

InChI=1S/C21H30N2O5/c1-6-9-15(4)22-18-12-10-17(11-13-18)14-23(16(5)24)19(20(25)27-7-2)21(26)28-8-3/h6,10-13,15,19,22H,1,7-9,14H2,2-5H3