5-methoxy-2-[(E)-3-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]benzoic acid

Systemtic Name: 5-methoxy-2-[(E)-3-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]benzoic acid Openeye Name: 5-methoxy-2-[(E)-3-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]benzoic acid CAS Name: 5-methoxy-2-[(E)-3-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]benzoic acid IUPAC Name: 5-methoxy-2-[(E)-3-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]benzoic acid Traditional Name: 5-methoxy-2-[(E)-3-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]benzoic acid Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(CCCC1)CC=CC2=C(C=C(C=C2)OC)C(=O)O

Isomeric SMILES

COC1=NC(CCCC1)C/C=C/C2=C(C=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C18H23NO4/c1-22-15-11-10-13(16(12-15)18(20)21)6-5-8-14-7-3-4-9-17(19-14)23-2/h5-6,10-12,14H,3-4,7-9H2,1-2H3,(H,20,21)/b6-5+