methyl 3-[(1-formamido-2-methyl-1-oxidanylidene-propan-2-yl)-[(4-phenoxyphenyl)methyl]amino]propanoate

Systemtic Name: methyl 3-[(1-formamido-2-methyl-1-oxidanylidene-propan-2-yl)-[(4-phenoxyphenyl)methyl]amino]propanoate Openeye Name: methyl 3-[(2-formamido-1,1-dimethyl-2-oxo-ethyl)-[(4-phenoxyphenyl)methyl]amino]propanoate CAS Name: 3-[(1-formamido-2-methyl-1-oxopropan-2-yl)-[(4-phenoxyphenyl)methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[(1-formamido-2-methyl-1-oxopropan-2-yl)-[(4-phenoxyphenyl)methyl]amino]propanoate Traditional Name: 3-[(2-formamido-2-keto-1,1-dimethyl-ethyl)-(4-phenoxybenzyl)amino]propionic acid methyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC=O)N(CCC(=O)OC)CC1=CC=C(C=C1)OC2=CC=CC=C2

Isomeric SMILES

CC(C)(C(=O)NC=O)N(CCC(=O)OC)CC1=CC=C(C=C1)OC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O5/c1-22(2,21(27)23-16-25)24(14-13-20(26)28-3)15-17-9-11-19(12-10-17)29-18-7-5-4-6-8-18/h4-12,16H,13-15H2,1-3H3,(H,23,25,27)