pentyl 4-[[(E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]amino]benzoate

Systemtic Name: pentyl 4-[[(E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]amino]benzoate Openeye Name: pentyl 4-[[(E)-3-(4-isopentyloxy-3-methoxy-phenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-1-oxoprop-2-enyl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 4-[[(E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(4-isoamoxy-3-methoxy-phenyl)acryloyl]amino]benzoic acid amyl ester Formula: C27H35NO5 MolecularWeight: 453.5705

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)C=CC2=CC(=C(C=C2)OCCC(C)C)OC

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC(=C(C=C2)OCCC(C)C)OC

InChI

InChI=1S/C27H35NO5/c1-5-6-7-17-33-27(30)22-10-12-23(13-11-22)28-26(29)15-9-21-8-14-24(25(19-21)31-4)32-18-16-20(2)3/h8-15,19-20H,5-7,16-18H2,1-4H3,(H,28,29)/b15-9+