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

Systemtic Name: 2-[[8-methoxy-3-methyl-1,4-bis(oxidanylidene)naphthalen-2-yl]amino]ethyl (2S)-2-acetamido-3-methyl-butanoate Openeye Name: 2-[(8-methoxy-3-methyl-1,4-dioxo-2-naphthyl)amino]ethyl (2S)-2-acetamido-3-methyl-butanoate CAS Name: (2S)-2-acetamido-3-methylbutanoic 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)-2-acetamido-3-methylbutanoate Traditional Name: (2S)-2-acetamido-3-methyl-butyric acid 2-[(1,4-diketo-8-methoxy-3-methyl-2-naphthyl)amino]ethyl ester Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(C1=O)C=CC=C2OC)NCCOC(=O)C(C(C)C)NC(=O)C

Isomeric SMILES

CC1=C(C(=O)C2=C(C1=O)C=CC=C2OC)NCCOC(=O)[C@H](C(C)C)NC(=O)C

InChI

InChI=1S/C21H26N2O6/c1-11(2)17(23-13(4)24)21(27)29-10-9-22-18-12(3)19(25)14-7-6-8-15(28-5)16(14)20(18)26/h6-8,11,17,22H,9-10H2,1-5H3,(H,23,24)/t17-/m0/s1