[2-[(2-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: [2-[(2-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: [2-oxo-2-(2-sec-butylanilino)ethyl] (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [2-(2-butan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-butan-2-ylanilino)-2-oxoethyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid [2-keto-2-(2-sec-butylanilino)ethyl] ester Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)COC(=O)C=CC2=CC(=C(C=C2)O)OC

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)COC(=O)/C=C/C2=CC(=C(C=C2)O)OC

InChI

InChI=1S/C22H25NO5/c1-4-15(2)17-7-5-6-8-18(17)23-21(25)14-28-22(26)12-10-16-9-11-19(24)20(13-16)27-3/h5-13,15,24H,4,14H2,1-3H3,(H,23,25)/b12-10+