ethyl (E)-3-[4-[[2-(aminocarbonylamino)-4-methyl-pentanoyl]amino]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[[2-(aminocarbonylamino)-4-methyl-pentanoyl]amino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[(4-methyl-2-ureido-pentanoyl)amino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[2-(carbamoylamino)-4-methyl-1-oxopentyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[[2-(carbamoylamino)-4-methylpentanoyl]amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[(4-methyl-2-ureido-pentanoyl)amino]phenyl]acrylic acid ethyl ester Formula: C18H25N3O4 MolecularWeight: 347.4088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O4/c1-4-25-16(22)10-7-13-5-8-14(9-6-13)20-17(23)15(11-12(2)3)21-18(19)24/h5-10,12,15H,4,11H2,1-3H3,(H,20,23)(H3,19,21,24)/b10-7+