(4-methoxyphenyl)methyl 4-[3-(3-heptyldec-2-enoyl)indol-1-yl]butanoate

Systemtic Name: (4-methoxyphenyl)methyl 4-[3-(3-heptyldec-2-enoyl)indol-1-yl]butanoate Openeye Name: (4-methoxyphenyl)methyl 4-[3-(3-heptyldec-2-enoyl)indol-1-yl]butanoate CAS Name: 4-[3-(3-heptyl-1-oxodec-2-enyl)-1-indolyl]butanoic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 4-[3-(3-heptyldec-2-enoyl)indol-1-yl]butanoate Traditional Name: 4-[3-(3-heptyldec-2-enoyl)indol-1-yl]butyric acid p-anisyl ester Formula: C37H51NO4 MolecularWeight: 573.80514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=CC(=O)C1=CN(C2=CC=CC=C21)CCCC(=O)OCC3=CC=C(C=C3)OC)CCCCCCC

Isomeric SMILES

CCCCCCCC(=CC(=O)C1=CN(C2=CC=CC=C21)CCCC(=O)OCC3=CC=C(C=C3)OC)CCCCCCC

InChI

InChI=1S/C37H51NO4/c1-4-6-8-10-12-17-30(18-13-11-9-7-5-2)27-36(39)34-28-38(35-20-15-14-19-33(34)35)26-16-21-37(40)42-29-31-22-24-32(41-3)25-23-31/h14-15,19-20,22-25,27-28H,4-13,16-18,21,26,29H2,1-3H3