3-[[1-[(2-methoxy-1-phenyl-ethyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamoyl]hex-5-enoic acid

Systemtic Name: 3-[[1-[(2-methoxy-1-phenyl-ethyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamoyl]hex-5-enoic acid Openeye Name: 3-[[1-[(2-methoxy-1-phenyl-ethyl)carbamoyl]-2-methyl-propyl]carbamoyl]hex-5-enoic acid CAS Name: 3-[[[1-[(2-methoxy-1-phenylethyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-oxomethyl]-5-hexenoic acid IUPAC Name: 3-[[1-[(2-methoxy-1-phenylethyl)amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]hex-5-enoic acid Traditional Name: 3-[[1-[(2-methoxy-1-phenyl-ethyl)carbamoyl]-2-methyl-propyl]carbamoyl]hex-5-enoic acid Formula: C21H30N2O5 MolecularWeight: 390.4733

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(COC)C1=CC=CC=C1)NC(=O)C(CC=C)CC(=O)O

Isomeric SMILES

CC(C)C(C(=O)NC(COC)C1=CC=CC=C1)NC(=O)C(CC=C)CC(=O)O

InChI

InChI=1S/C21H30N2O5/c1-5-9-16(12-18(24)25)20(26)23-19(14(2)3)21(27)22-17(13-28-4)15-10-7-6-8-11-15/h5-8,10-11,14,16-17,19H,1,9,12-13H2,2-4H3,(H,22,27)(H,23,26)(H,24,25)