[2-[(4-dimethylaminophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate

Systemtic Name: [2-[(4-dimethylaminophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate Openeye Name: [2-[(4-dimethylaminophenyl)methyl-methyl-amino]-2-oxo-ethyl] (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid [2-[(4-dimethylaminophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-dimethylaminophenyl)methyl-methylamino]-2-oxoethyl] (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [2-[[4-(dimethylamino)benzyl]-methyl-amino]-2-keto-ethyl] ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N(C)CC1=CC=C(C=C1)N(C)C)NC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)N(C)CC1=CC=C(C=C1)N(C)C)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H27N3O4/c1-16(23-21(27)18-8-6-5-7-9-18)22(28)29-15-20(26)25(4)14-17-10-12-19(13-11-17)24(2)3/h5-13,16H,14-15H2,1-4H3,(H,23,27)/t16-/m0/s1