3-(dipropylcarbamoyl)-5-[[4-[(3-methoxyphenyl)methylamino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamoyl]benzoic acid

Systemtic Name: 3-(dipropylcarbamoyl)-5-[[4-[(3-methoxyphenyl)methylamino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamoyl]benzoic acid Openeye Name: 3-[[1-benzyl-2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]carbamoyl]-5-(dipropylcarbamoyl)benzoic acid CAS Name: 3-[(dipropylamino)-oxomethyl]-5-[[[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 3-(dipropylcarbamoyl)-5-[[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]carbamoyl]benzoic acid Traditional Name: 3-[[1-benzyl-2-hydroxy-3-(m-anisylamino)propyl]carbamoyl]-5-(dipropylcarbamoyl)benzoic acid Formula: C33H41N3O6 MolecularWeight: 575.69514

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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(CNCC3=CC(=CC=C3)OC)O)C(=O)O

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(CNCC3=CC(=CC=C3)OC)O)C(=O)O

InChI

InChI=1S/C33H41N3O6/c1-4-14-36(15-5-2)32(39)26-18-25(19-27(20-26)33(40)41)31(38)35-29(17-23-10-7-6-8-11-23)30(37)22-34-21-24-12-9-13-28(16-24)42-3/h6-13,16,18-20,29-30,34,37H,4-5,14-15,17,21-22H2,1-3H3,(H,35,38)(H,40,41)