[3-methyl-2-(2-methyl-4-oxidanylidene-pentan-2-yl)anthracen-1-yl] 2-(methoxycarbonylamino)propanoate

Systemtic Name: [3-methyl-2-(2-methyl-4-oxidanylidene-pentan-2-yl)anthracen-1-yl] 2-(methoxycarbonylamino)propanoate Openeye Name: [2-(1,1-dimethyl-3-oxo-butyl)-3-methyl-1-anthryl] 2-(methoxycarbonylamino)propanoate CAS Name: 2-(methoxycarbonylamino)propanoic acid [3-methyl-2-(2-methyl-4-oxopentan-2-yl)-1-anthracenyl] ester IUPAC Name: [3-methyl-2-(2-methyl-4-oxopentan-2-yl)anthracen-1-yl] 2-(methoxycarbonylamino)propanoate Traditional Name: 2-(carbomethoxyamino)propionic acid [2-(3-keto-1,1-dimethyl-butyl)-3-methyl-1-anthryl] ester Formula: C26H29NO5 MolecularWeight: 435.51216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC3=CC=CC=C3C=C2C(=C1C(C)(C)CC(=O)C)OC(=O)C(C)NC(=O)OC

Isomeric SMILES

CC1=CC2=CC3=CC=CC=C3C=C2C(=C1C(C)(C)CC(=O)C)OC(=O)C(C)NC(=O)OC

InChI

InChI=1S/C26H29NO5/c1-15-11-20-12-18-9-7-8-10-19(18)13-21(20)23(22(15)26(4,5)14-16(2)28)32-24(29)17(3)27-25(30)31-6/h7-13,17H,14H2,1-6H3,(H,27,30)