N-[(3-methoxy-4-prop-2-enoxy-phenyl)methyl]-4-[(4-nitrophenyl)amino]-N-(oxolan-2-ylmethyl)butanamide

Systemtic Name: N-[(3-methoxy-4-prop-2-enoxy-phenyl)methyl]-4-[(4-nitrophenyl)amino]-N-(oxolan-2-ylmethyl)butanamide Openeye Name: N-[(4-allyloxy-3-methoxy-phenyl)methyl]-4-(4-nitroanilino)-N-(tetrahydrofuran-2-ylmethyl)butanamide CAS Name: N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-4-(4-nitroanilino)-N-(2-oxolanylmethyl)butanamide IUPAC Name: N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-4-(4-nitroanilino)-N-(oxolan-2-ylmethyl)butanamide Traditional Name: N-(4-allyloxy-3-methoxy-benzyl)-4-(4-nitroanilino)-N-(tetrahydrofurfuryl)butyramide Formula: C26H33N3O6 MolecularWeight: 483.55672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN(CC2CCCO2)C(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-])OCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)CN(CC2CCCO2)C(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-])OCC=C

InChI

InChI=1S/C26H33N3O6/c1-3-15-35-24-13-8-20(17-25(24)33-2)18-28(19-23-6-5-16-34-23)26(30)7-4-14-27-21-9-11-22(12-10-21)29(31)32/h3,8-13,17,23,27H,1,4-7,14-16,18-19H2,2H3