[4-(dimethylaminomethyl)-5-(3-hydroxyphenyl)-2,3-dihydro-1-benzoxepin-7-yl] N,N-diethylcarbamate

Systemtic Name: [4-(dimethylaminomethyl)-5-(3-hydroxyphenyl)-2,3-dihydro-1-benzoxepin-7-yl] N,N-diethylcarbamate Openeye Name: [4-(dimethylaminomethyl)-5-(3-hydroxyphenyl)-2,3-dihydro-1-benzoxepin-7-yl] N,N-diethylcarbamate CAS Name: N,N-diethylcarbamic acid [4-(dimethylaminomethyl)-5-(3-hydroxyphenyl)-2,3-dihydro-1-benzoxepin-7-yl] ester IUPAC Name: [4-(dimethylaminomethyl)-5-(3-hydroxyphenyl)-2,3-dihydro-1-benzoxepin-7-yl] N,N-diethylcarbamate Traditional Name: N,N-diethylcarbamic acid [4-(dimethylaminomethyl)-5-(3-hydroxyphenyl)-2,3-dihydro-1-benzoxepin-7-yl] ester Formula: C24H30N2O4 MolecularWeight: 410.506

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)OC1=CC2=C(C=C1)OCCC(=C2C3=CC(=CC=C3)O)CN(C)C

Isomeric SMILES

CCN(CC)C(=O)OC1=CC2=C(C=C1)OCCC(=C2C3=CC(=CC=C3)O)CN(C)C

InChI

InChI=1S/C24H30N2O4/c1-5-26(6-2)24(28)30-20-10-11-22-21(15-20)23(17-8-7-9-19(27)14-17)18(12-13-29-22)16-25(3)4/h7-11,14-15,27H,5-6,12-13,16H2,1-4H3