7-[3-(4-aminocarbonyl-3-methoxy-2-prop-2-enyl-phenoxy)propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid

Systemtic Name: 7-[3-(4-aminocarbonyl-3-methoxy-2-prop-2-enyl-phenoxy)propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid Openeye Name: 7-[3-(2-allyl-4-carbamoyl-3-methoxy-phenoxy)propoxy]-8-propyl-chromane-2-carboxylic acid CAS Name: 7-[3-(4-carbamoyl-3-methoxy-2-prop-2-enylphenoxy)propoxy]-8-propyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[3-(4-carbamoyl-3-methoxy-2-prop-2-enylphenoxy)propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid Traditional Name: 7-[3-(2-allyl-4-carbamoyl-3-methoxy-phenoxy)propoxy]-8-propyl-chroman-2-carboxylic acid Formula: C27H33NO7 MolecularWeight: 483.55342

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(CC2)C(=O)O)OCCCOC3=C(C(=C(C=C3)C(=O)N)OC)CC=C

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(CC2)C(=O)O)OCCCOC3=C(C(=C(C=C3)C(=O)N)OC)CC=C

InChI

InChI=1S/C27H33NO7/c1-4-7-18-21(12-9-17-10-13-23(27(30)31)35-24(17)18)33-15-6-16-34-22-14-11-20(26(28)29)25(32-3)19(22)8-5-2/h5,9,11-12,14,23H,2,4,6-8,10,13,15-16H2,1,3H3,(H2,28,29)(H,30,31)