ethyl (Z)-5-methyl-3-[[3-methyl-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl]carbamoyl]hex-3-enoate

Systemtic Name: ethyl (Z)-5-methyl-3-[[3-methyl-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl]carbamoyl]hex-3-enoate Openeye Name: ethyl (Z)-3-[[1-(benzylcarbamoyl)-2-methyl-propyl]carbamoyl]-5-methyl-hex-3-enoate CAS Name: (Z)-5-methyl-3-[[[3-methyl-1-oxo-1-[(phenylmethyl)amino]butan-2-yl]amino]-oxomethyl]-3-hexenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-[[1-(benzylamino)-3-methyl-1-oxobutan-2-yl]carbamoyl]-5-methylhex-3-enoate Traditional Name: (Z)-3-[[1-(benzylcarbamoyl)-2-methyl-propyl]carbamoyl]-5-methyl-hex-3-enoic acid ethyl ester Formula: C22H32N2O4 MolecularWeight: 388.50048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=CC(C)C)C(=O)NC(C(C)C)C(=O)NCC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)C/C(=C/C(C)C)/C(=O)NC(C(C)C)C(=O)NCC1=CC=CC=C1

InChI

InChI=1S/C22H32N2O4/c1-6-28-19(25)13-18(12-15(2)3)21(26)24-20(16(4)5)22(27)23-14-17-10-8-7-9-11-17/h7-12,15-16,20H,6,13-14H2,1-5H3,(H,23,27)(H,24,26)/b18-12-