ethyl (E)-4-[3-azanylpropyl-[2-(3-phenylpropylamino)propanoylamino]amino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[3-azanylpropyl-[2-(3-phenylpropylamino)propanoylamino]amino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[3-aminopropyl-[2-(3-phenylpropylamino)propanoylamino]amino]-4-oxo-but-2-enoate CAS Name: (E)-4-[3-aminopropyl-[[1-oxo-2-(3-phenylpropylamino)propyl]amino]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[3-aminopropyl-[2-(3-phenylpropylamino)propanoylamino]amino]-4-oxobut-2-enoate Traditional Name: (E)-4-[3-aminopropyl-[2-(3-phenylpropylamino)propanoylamino]amino]-4-keto-but-2-enoic acid ethyl ester Formula: C21H32N4O4 MolecularWeight: 404.50318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)N(CCCN)NC(=O)C(C)NCCCC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)/C=C/C(=O)N(CCCN)NC(=O)C(C)NCCCC1=CC=CC=C1

InChI

InChI=1S/C21H32N4O4/c1-3-29-20(27)13-12-19(26)25(16-8-14-22)24-21(28)17(2)23-15-7-11-18-9-5-4-6-10-18/h4-6,9-10,12-13,17,23H,3,7-8,11,14-16,22H2,1-2H3,(H,24,28)/b13-12+