(3R)-2-[ethoxy-(4-phenoxyphenyl)phosphoryl]-N-phenylmethoxy-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-2-[ethoxy-(4-phenoxyphenyl)phosphoryl]-N-phenylmethoxy-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-N-benzyloxy-2-[ethoxy-(4-phenoxyphenyl)phosphoryl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-2-[ethoxy-(4-phenoxyphenyl)phosphoryl]-N-phenylmethoxy-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-2-[ethoxy-(4-phenoxyphenyl)phosphoryl]-N-phenylmethoxy-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-N-benzoxy-2-[ethoxy-(4-phenoxyphenyl)phosphoryl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C31H31N2O5P MolecularWeight: 542.562001

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=CC=C(C=C1)OC2=CC=CC=C2)N3CC4=CC=CC=C4CC3C(=O)NOCC5=CC=CC=C5

Isomeric SMILES

CCOP(=O)(C1=CC=C(C=C1)OC2=CC=CC=C2)N3CC4=CC=CC=C4C[C@@H]3C(=O)NOCC5=CC=CC=C5

InChI

InChI=1S/C31H31N2O5P/c1-2-37-39(35,29-19-17-28(18-20-29)38-27-15-7-4-8-16-27)33-22-26-14-10-9-13-25(26)21-30(33)31(34)32-36-23-24-11-5-3-6-12-24/h3-20,30H,2,21-23H2,1H3,(H,32,34)/t30-,39?/m1/s1