4-(diethylamino)but-2-ynyl 2-[2-[1-(aminomethyl)cyclohexyl]ethanoyloxy]-2-cyclohexyl-2-phenyl-ethanoate

Systemtic Name: 4-(diethylamino)but-2-ynyl 2-[2-[1-(aminomethyl)cyclohexyl]ethanoyloxy]-2-cyclohexyl-2-phenyl-ethanoate Openeye Name: 4-(diethylamino)but-2-ynyl 2-[2-[1-(aminomethyl)cyclohexyl]acetyl]oxy-2-cyclohexyl-2-phenyl-acetate CAS Name: 2-[2-[1-(aminomethyl)cyclohexyl]-1-oxoethoxy]-2-cyclohexyl-2-phenylacetic acid 4-(diethylamino)but-2-ynyl ester IUPAC Name: 4-(diethylamino)but-2-ynyl 2-[2-[1-(aminomethyl)cyclohexyl]acetyl]oxy-2-cyclohexyl-2-phenylacetate Traditional Name: 2-[2-[1-(aminomethyl)cyclohexyl]acetyl]oxy-2-cyclohexyl-2-phenyl-acetic acid 4-(diethylamino)but-2-ynyl ester Formula: C31H46N2O4 MolecularWeight: 510.70794

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)OC(=O)CC3(CCCCC3)CN

Isomeric SMILES

CCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)OC(=O)CC3(CCCCC3)CN

InChI

InChI=1S/C31H46N2O4/c1-3-33(4-2)22-14-15-23-36-29(35)31(26-16-8-5-9-17-26,27-18-10-6-11-19-27)37-28(34)24-30(25-32)20-12-7-13-21-30/h5,8-9,16-17,27H,3-4,6-7,10-13,18-25,32H2,1-2H3