octan-1-amine; 1-(4-propan-2-ylthiophen-2-yl)propyl 2-(4-methoxyphenyl)ethanoate

Systemtic Name: octan-1-amine; 1-(4-propan-2-ylthiophen-2-yl)propyl 2-(4-methoxyphenyl)ethanoate Openeye Name: 1-(4-isopropyl-2-thienyl)propyl 2-(4-methoxyphenyl)acetate; octan-1-amine CAS Name: 2-(4-methoxyphenyl)acetic acid 1-(4-propan-2-yl-2-thiophenyl)propyl ester; 1-octanamine IUPAC Name: octan-1-amine; 1-(4-propan-2-ylthiophen-2-yl)propyl 2-(4-methoxyphenyl)acetate Traditional Name: 2-(4-methoxyphenyl)acetic acid 1-(4-isopropyl-2-thienyl)propyl ester; octylamine Formula: C27H43NO3S MolecularWeight: 461.70022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN.CCC(C1=CC(=CS1)C(C)C)OC(=O)CC2=CC=C(C=C2)OC

Isomeric SMILES

CCCCCCCCN.CCC(C1=CC(=CS1)C(C)C)OC(=O)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C19H24O3S.C8H19N/c1-5-17(18-11-15(12-23-18)13(2)3)22-19(20)10-14-6-8-16(21-4)9-7-14;1-2-3-4-5-6-7-8-9/h6-9,11-13,17H,5,10H2,1-4H3;2-9H2,1H3