2-[[8-methoxy-3-methyl-1,4-bis(oxidanylidene)naphthalen-2-yl]amino]ethyl (2S,3S)-2-acetamido-3-methyl-pentanoate

Systemtic Name: 2-[[8-methoxy-3-methyl-1,4-bis(oxidanylidene)naphthalen-2-yl]amino]ethyl (2S,3S)-2-acetamido-3-methyl-pentanoate Openeye Name: 2-[(8-methoxy-3-methyl-1,4-dioxo-2-naphthyl)amino]ethyl (2S,3S)-2-acetamido-3-methyl-pentanoate CAS Name: (2S,3S)-2-acetamido-3-methylpentanoic acid 2-[(8-methoxy-3-methyl-1,4-dioxo-2-naphthalenyl)amino]ethyl ester IUPAC Name: 2-[(8-methoxy-3-methyl-1,4-dioxonaphthalen-2-yl)amino]ethyl (2S,3S)-2-acetamido-3-methylpentanoate Traditional Name: (2S,3S)-2-acetamido-3-methyl-valeric acid 2-[(1,4-diketo-8-methoxy-3-methyl-2-naphthyl)amino]ethyl ester Formula: C22H28N2O6 MolecularWeight: 416.46752

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OCCNC1=C(C(=O)C2=C(C1=O)C(=CC=C2)OC)C)NC(=O)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OCCNC1=C(C(=O)C2=C(C1=O)C(=CC=C2)OC)C)NC(=O)C

InChI

InChI=1S/C22H28N2O6/c1-6-12(2)18(24-14(4)25)22(28)30-11-10-23-19-13(3)20(26)15-8-7-9-16(29-5)17(15)21(19)27/h7-9,12,18,23H,6,10-11H2,1-5H3,(H,24,25)/t12-,18-/m0/s1