ethyl 4-(4-methoxy-4-oxidanylidene-butyl)-8-[[4-(4-phenylbutoxy)phenyl]methylamino]-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: ethyl 4-(4-methoxy-4-oxidanylidene-butyl)-8-[[4-(4-phenylbutoxy)phenyl]methylamino]-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: ethyl 4-(4-methoxy-4-oxo-butyl)-8-[[4-(4-phenylbutoxy)phenyl]methylamino]-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: 4-(4-methoxy-4-oxobutyl)-8-[[4-(4-phenylbutoxy)phenyl]methylamino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxy-4-oxobutyl)-8-[[4-(4-phenylbutoxy)phenyl]methylamino]-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: 4-(4-keto-4-methoxy-butyl)-8-[[4-(4-phenylbutoxy)benzyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid ethyl ester Formula: C33H40N2O6 MolecularWeight: 560.6805

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(C2=C(O1)C(=CC=C2)NCC3=CC=C(C=C3)OCCCCC4=CC=CC=C4)CCCC(=O)OC

Isomeric SMILES

CCOC(=O)C1CN(C2=C(O1)C(=CC=C2)NCC3=CC=C(C=C3)OCCCCC4=CC=CC=C4)CCCC(=O)OC

InChI

InChI=1S/C33H40N2O6/c1-3-39-33(37)30-24-35(21-10-16-31(36)38-2)29-15-9-14-28(32(29)41-30)34-23-26-17-19-27(20-18-26)40-22-8-7-13-25-11-5-4-6-12-25/h4-6,9,11-12,14-15,17-20,30,34H,3,7-8,10,13,16,21-24H2,1-2H3