4-[2-[[[3-[2-ethoxy-5-[(E)-prop-1-enyl]phenoxy]-2-oxidanyl-propyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid

Systemtic Name: 4-[2-[[[3-[2-ethoxy-5-[(E)-prop-1-enyl]phenoxy]-2-oxidanyl-propyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Openeye Name: 4-[2-[[[3-[2-ethoxy-5-[(E)-prop-1-enyl]phenoxy]-2-hydroxy-propyl]amino]methyl]chroman-6-yl]benzoic acid CAS Name: 4-[2-[[[3-[2-ethoxy-5-[(E)-prop-1-enyl]phenoxy]-2-hydroxypropyl]amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]benzoic acid IUPAC Name: 4-[2-[[[3-[2-ethoxy-5-[(E)-prop-1-enyl]phenoxy]-2-hydroxypropyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Traditional Name: 4-[2-[[[3-[2-ethoxy-5-[(E)-prop-1-enyl]phenoxy]-2-hydroxy-propyl]amino]methyl]chroman-6-yl]benzoic acid Formula: C31H35NO6 MolecularWeight: 517.6127

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=CC)OCC(CNCC2CCC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)C(=O)O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C/C)OCC(CNCC2CCC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)C(=O)O)O

InChI

InChI=1S/C31H35NO6/c1-3-5-21-6-14-29(36-4-2)30(16-21)37-20-26(33)18-32-19-27-13-11-25-17-24(12-15-28(25)38-27)22-7-9-23(10-8-22)31(34)35/h3,5-10,12,14-17,26-27,32-33H,4,11,13,18-20H2,1-2H3,(H,34,35)/b5-3+