[(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxidanylidene-propan-2-yl] 3-acetamidopropanoate

Systemtic Name: [(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxidanylidene-propan-2-yl] 3-acetamidopropanoate Openeye Name: [(1S)-2-[(9-ethylcarbazol-3-yl)amino]-1-methyl-2-oxo-ethyl] 3-acetamidopropanoate CAS Name: 3-acetamidopropanoic acid [(2S)-1-[(9-ethyl-3-carbazolyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 3-acetamidopropanoate Traditional Name: 3-acetamidopropionic acid [(1S)-2-[(9-ethylcarbazol-3-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C(C)OC(=O)CCNC(=O)C)C3=CC=CC=C31

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)[C@H](C)OC(=O)CCNC(=O)C)C3=CC=CC=C31

InChI

InChI=1S/C22H25N3O4/c1-4-25-19-8-6-5-7-17(19)18-13-16(9-10-20(18)25)24-22(28)14(2)29-21(27)11-12-23-15(3)26/h5-10,13-14H,4,11-12H2,1-3H3,(H,23,26)(H,24,28)/t14-/m0/s1