N1-[(2S)-4-[2-(3-methoxyphenyl)ethylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide

Systemtic Name: N1-[(2S)-4-[2-(3-methoxyphenyl)ethylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-[(1S)-1-benzyl-2-hydroxy-3-[2-(3-methoxyphenyl)ethylamino]propyl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: N1-[(2S)-3-hydroxy-4-[2-(3-methoxyphenyl)ethylamino]-1-phenylbutan-2-yl]-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[(2S)-3-hydroxy-4-[2-(3-methoxyphenyl)ethylamino]-1-phenylbutan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[(1S)-1-benzyl-2-hydroxy-3-[2-(3-methoxyphenyl)ethylamino]propyl]-N',N'-dipropyl-isophthalamide Formula: C33H43N3O4 MolecularWeight: 545.71222

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(CNCCC3=CC(=CC=C3)OC)O

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC=CC(=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(CNCCC3=CC(=CC=C3)OC)O

InChI

InChI=1S/C33H43N3O4/c1-4-19-36(20-5-2)33(39)28-15-10-14-27(23-28)32(38)35-30(22-25-11-7-6-8-12-25)31(37)24-34-18-17-26-13-9-16-29(21-26)40-3/h6-16,21,23,30-31,34,37H,4-5,17-20,22,24H2,1-3H3,(H,35,38)/t30-,31?/m0/s1