[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-4-phenethyl-quinoxalin-2-yl)propanoate

Systemtic Name: [2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-4-phenethyl-quinoxalin-2-yl)propanoate Openeye Name: [2-(2-methoxy-5-methyl-anilino)-2-oxo-ethyl] 3-(3-oxo-4-phenethyl-quinoxalin-2-yl)propanoate CAS Name: 3-(3-oxo-4-phenethyl-2-quinoxalinyl)propanoic acid [2-(2-methoxy-5-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3-(3-oxo-4-phenethylquinoxalin-2-yl)propanoate Traditional Name: 3-(3-keto-4-phenethyl-quinoxalin-2-yl)propionic acid [2-keto-2-(2-methoxy-5-methyl-anilino)ethyl] ester Formula: C29H29N3O5 MolecularWeight: 499.55766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3N(C2=O)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3N(C2=O)CCC4=CC=CC=C4

InChI

InChI=1S/C29H29N3O5/c1-20-12-14-26(36-2)24(18-20)31-27(33)19-37-28(34)15-13-23-29(35)32(17-16-21-8-4-3-5-9-21)25-11-7-6-10-22(25)30-23/h3-12,14,18H,13,15-17,19H2,1-2H3,(H,31,33)