ethyl (E)-4-[4-azanylbutyl-[[4-methyl-2-(3-phenylpropylamino)pentanoyl]amino]amino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[4-azanylbutyl-[[4-methyl-2-(3-phenylpropylamino)pentanoyl]amino]amino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[4-aminobutyl-[[4-methyl-2-(3-phenylpropylamino)pentanoyl]amino]amino]-4-oxo-but-2-enoate CAS Name: (E)-4-[4-aminobutyl-[[4-methyl-1-oxo-2-(3-phenylpropylamino)pentyl]amino]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[4-aminobutyl-[[4-methyl-2-(3-phenylpropylamino)pentanoyl]amino]amino]-4-oxobut-2-enoate Traditional Name: (E)-4-[4-aminobutyl-[[4-methyl-2-(3-phenylpropylamino)pentanoyl]amino]amino]-4-keto-but-2-enoic acid ethyl ester Formula: C25H40N4O4 MolecularWeight: 460.6095

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40N4O4/c1-4-33-24(31)15-14-23(30)29(18-9-8-16-26)28-25(32)22(19-20(2)3)27-17-10-13-21-11-6-5-7-12-21/h5-7,11-12,14-15,20,22,27H,4,8-10,13,16-19,26H2,1-3H3,(H,28,32)/b15-14+