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

Systemtic Name: 2-[4-[1-(4-heptoxyphenyl)-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoate Openeye Name: 2-[4-[1-(4-heptoxyphenyl)-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoate CAS Name: 2-[4-[1-(4-heptoxyphenyl)-5-methyl-2-pyrrolyl]phenoxy]-3-phenylpropanoate IUPAC Name: 2-[4-[1-(4-heptoxyphenyl)-5-methylpyrrol-2-yl]phenoxy]-3-phenylpropanoate Traditional Name: 2-[4-[1-(4-heptoxyphenyl)-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propionate Formula: C33H36NO4- MolecularWeight: 510.64324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)N2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)N2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

InChI

InChI=1S/C33H37NO4/c1-3-4-5-6-10-23-37-29-20-16-28(17-21-29)34-25(2)13-22-31(34)27-14-18-30(19-15-27)38-32(33(35)36)24-26-11-8-7-9-12-26/h7-9,11-22,32H,3-6,10,23-24H2,1-2H3,(H,35,36)/p-1