lithium (2S)-2-[[4-(dimethylaminomethyl)phenyl]methoxycarbonylamino]-4-methyl-pentanoate

Systemtic Name: lithium (2S)-2-[[4-(dimethylaminomethyl)phenyl]methoxycarbonylamino]-4-methyl-pentanoate Openeye Name: lithium (2S)-2-[[4-(dimethylaminomethyl)phenyl]methoxycarbonylamino]-4-methyl-pentanoate CAS Name: lithium (2S)-2-[[[4-(dimethylaminomethyl)phenyl]methoxy-oxomethyl]amino]-4-methylpentanoate IUPAC Name: lithium (2S)-2-[[4-(dimethylaminomethyl)phenyl]methoxycarbonylamino]-4-methylpentanoate Traditional Name: lithium (2S)-2-[[4-(dimethylaminomethyl)benzyl]oxycarbonylamino]-4-methyl-valerate Formula: C17H25LiN2O4 MolecularWeight: 328.3324

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CC(C)CC(C(=O)[O-])NC(=O)OCC1=CC=C(C=C1)CN(C)C

Isomeric SMILES

[Li+].CC(C)C[C@@H](C(=O)[O-])NC(=O)OCC1=CC=C(C=C1)CN(C)C

InChI

InChI=1S/C17H26N2O4.Li/c1-12(2)9-15(16(20)21)18-17(22)23-11-14-7-5-13(6-8-14)10-19(3)4;/h5-8,12,15H,9-11H2,1-4H3,(H,18,22)(H,20,21);/q;+1/p-1/t15-;/m0./s1