4-azanylbenzoic acid; 7-[3-(4-ethanoyl-3-methoxy-2-propyl-phenoxy)propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid

Systemtic Name: 4-azanylbenzoic acid; 7-[3-(4-ethanoyl-3-methoxy-2-propyl-phenoxy)propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid Openeye Name: 7-[3-(4-acetyl-3-methoxy-2-propyl-phenoxy)propoxy]-8-propyl-chromane-2-carboxylic acid; 4-aminobenzoic acid CAS Name: 7-[3-(4-acetyl-3-methoxy-2-propylphenoxy)propoxy]-8-propyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid; 4-aminobenzoic acid IUPAC Name: 7-[3-(4-acetyl-3-methoxy-2-propylphenoxy)propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid; 4-aminobenzoic acid Traditional Name: 7-[3-(4-acetyl-3-methoxy-2-propyl-phenoxy)propoxy]-8-propyl-chroman-2-carboxylic acid; 4-aminobenzoic acid Formula: C35H43NO9 MolecularWeight: 621.71722

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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)C)OC)CCC.C1=CC(=CC=C1C(=O)O)N

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(CC2)C(=O)O)OCCCOC3=C(C(=C(C=C3)C(=O)C)OC)CCC.C1=CC(=CC=C1C(=O)O)N

InChI

InChI=1S/C28H36O7.C7H7NO2/c1-5-8-21-23(13-10-19-11-14-25(28(30)31)35-26(19)21)33-16-7-17-34-24-15-12-20(18(3)29)27(32-4)22(24)9-6-2;8-6-3-1-5(2-4-6)7(9)10/h10,12-13,15,25H,5-9,11,14,16-17H2,1-4H3,(H,30,31);1-4H,8H2,(H,9,10)