1-[2-(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl]oxypropan-2-yl nonanoate

Systemtic Name: 1-[2-(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl]oxypropan-2-yl nonanoate Openeye Name: [1-methyl-2-[2-(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl]oxy-ethyl] nonanoate CAS Name: nonanoic acid 1-[[2-(1-pentyl-4-phenyl-1-cyclohexa-2,5-dienyl)-5-pyrimidinyl]oxy]propan-2-yl ester IUPAC Name: 1-[2-(1-pentyl-4-phenylcyclohexa-2,5-dien-1-yl)pyrimidin-5-yl]oxypropan-2-yl nonanoate Traditional Name: pelargonic acid [2-[2-(1-amyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl]oxy-1-methyl-ethyl] ester Formula: C33H46N2O3 MolecularWeight: 518.72994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC(C)COC1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)CCCCC

Isomeric SMILES

CCCCCCCCC(=O)OC(C)COC1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)CCCCC

InChI

InChI=1S/C33H46N2O3/c1-4-6-8-9-10-14-18-31(36)38-27(3)26-37-30-24-34-32(35-25-30)33(21-15-7-5-2)22-19-29(20-23-33)28-16-12-11-13-17-28/h11-13,16-17,19-20,22-25,27,29H,4-10,14-15,18,21,26H2,1-3H3