(phenylmethyl) 3-methyl-2-[2-[methyl-(phenylmethyl)amino]pent-4-enoylamino]butanoate

Systemtic Name: (phenylmethyl) 3-methyl-2-[2-[methyl-(phenylmethyl)amino]pent-4-enoylamino]butanoate Openeye Name: benzyl 2-[2-[benzyl(methyl)amino]pent-4-enoylamino]-3-methyl-butanoate CAS Name: 3-methyl-2-[[2-[methyl-(phenylmethyl)amino]-1-oxopent-4-enyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[benzyl(methyl)amino]pent-4-enoylamino]-3-methylbutanoate Traditional Name: 2-[2-[benzyl(methyl)amino]pent-4-enoylamino]-3-methyl-butyric acid benzyl ester Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC=C)N(C)CC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC=C)N(C)CC2=CC=CC=C2

InChI

InChI=1S/C25H32N2O3/c1-5-12-22(27(4)17-20-13-8-6-9-14-20)24(28)26-23(19(2)3)25(29)30-18-21-15-10-7-11-16-21/h5-11,13-16,19,22-23H,1,12,17-18H2,2-4H3,(H,26,28)