2-[4-[5-methyl-1-(4-nonoxyphenyl)pyrrol-2-yl]phenoxy]-3-phenyl-propanoate

Systemtic Name: 2-[4-[5-methyl-1-(4-nonoxyphenyl)pyrrol-2-yl]phenoxy]-3-phenyl-propanoate Openeye Name: 2-[4-[5-methyl-1-(4-nonoxyphenyl)pyrrol-2-yl]phenoxy]-3-phenyl-propanoate CAS Name: 2-[4-[5-methyl-1-(4-nonoxyphenyl)-2-pyrrolyl]phenoxy]-3-phenylpropanoate IUPAC Name: 2-[4-[5-methyl-1-(4-nonoxyphenyl)pyrrol-2-yl]phenoxy]-3-phenylpropanoate Traditional Name: 2-[4-[5-methyl-1-(4-nonoxyphenyl)pyrrol-2-yl]phenoxy]-3-phenyl-propionate Formula: C35H40NO4- MolecularWeight: 538.6964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)N2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)N2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

InChI

InChI=1S/C35H41NO4/c1-3-4-5-6-7-8-12-25-39-31-22-18-30(19-23-31)36-27(2)15-24-33(36)29-16-20-32(21-17-29)40-34(35(37)38)26-28-13-10-9-11-14-28/h9-11,13-24,34H,3-8,12,25-26H2,1-2H3,(H,37,38)/p-1