[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl] (3R)-3-acetamido-3-phenyl-propanoate

Systemtic Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl] (3R)-3-acetamido-3-phenyl-propanoate Openeye Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxo-ethyl] (3R)-3-acetamido-3-phenyl-propanoate CAS Name: (3R)-3-acetamido-3-phenylpropanoic acid [2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate Traditional Name: (3R)-3-acetamido-3-phenyl-propionic acid [2-[[4-(dimethylamino)benzyl]amino]-2-keto-ethyl] ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)NCC1=CC=C(C=C1)N(C)C)C2=CC=CC=C2

Isomeric SMILES

CC(=O)N[C@H](CC(=O)OCC(=O)NCC1=CC=C(C=C1)N(C)C)C2=CC=CC=C2

InChI

InChI=1S/C22H27N3O4/c1-16(26)24-20(18-7-5-4-6-8-18)13-22(28)29-15-21(27)23-14-17-9-11-19(12-10-17)25(2)3/h4-12,20H,13-15H2,1-3H3,(H,23,27)(H,24,26)/t20-/m1/s1