N-[(4-methoxyphenyl)methyl]ethanamine; (1-phenylcyclohexyl) 2-oxidanylhex-3-ynoate

Systemtic Name: N-[(4-methoxyphenyl)methyl]ethanamine; (1-phenylcyclohexyl) 2-oxidanylhex-3-ynoate Openeye Name: N-[(4-methoxyphenyl)methyl]ethanamine; (1-phenylcyclohexyl) 2-hydroxyhex-3-ynoate CAS Name: 2-hydroxy-3-hexynoic acid (1-phenylcyclohexyl) ester; N-[(4-methoxyphenyl)methyl]ethanamine IUPAC Name: N-[(4-methoxyphenyl)methyl]ethanamine; (1-phenylcyclohexyl) 2-hydroxyhex-3-ynoate Traditional Name: ethyl(p-anisyl)amine; 2-hydroxyhex-3-ynoic acid (1-phenylcyclohexyl) ester Formula: C28H37NO4 MolecularWeight: 451.59768

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC(C(=O)OC1(CCCCC1)C2=CC=CC=C2)O.CCNCC1=CC=C(C=C1)OC

Isomeric SMILES

CCC#CC(C(=O)OC1(CCCCC1)C2=CC=CC=C2)O.CCNCC1=CC=C(C=C1)OC

InChI

InChI=1S/C18H22O3.C10H15NO/c1-2-3-12-16(19)17(20)21-18(13-8-5-9-14-18)15-10-6-4-7-11-15;1-3-11-8-9-4-6-10(12-2)7-5-9/h4,6-7,10-11,16,19H,2,5,8-9,13-14H2,1H3;4-7,11H,3,8H2,1-2H3