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

Systemtic Name: 2-[[8-methoxy-3-methyl-1,4-bis(oxidanylidene)naphthalen-2-yl]amino]ethyl (2S)-2-acetamido-3-phenyl-propanoate Openeye Name: 2-[(8-methoxy-3-methyl-1,4-dioxo-2-naphthyl)amino]ethyl (2S)-2-acetamido-3-phenyl-propanoate CAS Name: (2S)-2-acetamido-3-phenylpropanoic 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-phenylpropanoate Traditional Name: (2S)-2-acetamido-3-phenyl-propionic acid 2-[(1,4-diketo-8-methoxy-3-methyl-2-naphthyl)amino]ethyl ester Formula: C25H26N2O6 MolecularWeight: 450.48374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(C1=O)C=CC=C2OC)NCCOC(=O)C(CC3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CC1=C(C(=O)C2=C(C1=O)C=CC=C2OC)NCCOC(=O)[C@H](CC3=CC=CC=C3)NC(=O)C

InChI

InChI=1S/C25H26N2O6/c1-15-22(24(30)21-18(23(15)29)10-7-11-20(21)32-3)26-12-13-33-25(31)19(27-16(2)28)14-17-8-5-4-6-9-17/h4-11,19,26H,12-14H2,1-3H3,(H,27,28)/t19-/m0/s1