4-[[4-[[4-azanyl-3-(naphthalen-1-ylmethoxy)phenyl]carbonylamino]-3-phenylmethoxy-phenyl]carbonylamino]-3-propan-2-yloxy-benzoic acid

Systemtic Name: 4-[[4-[[4-azanyl-3-(naphthalen-1-ylmethoxy)phenyl]carbonylamino]-3-phenylmethoxy-phenyl]carbonylamino]-3-propan-2-yloxy-benzoic acid Openeye Name: 4-[[4-[[4-amino-3-(1-naphthylmethoxy)benzoyl]amino]-3-benzyloxy-benzoyl]amino]-3-isopropoxy-benzoic acid CAS Name: 4-[[[4-[[[4-amino-3-(1-naphthalenylmethoxy)phenyl]-oxomethyl]amino]-3-phenylmethoxyphenyl]-oxomethyl]amino]-3-propan-2-yloxybenzoic acid IUPAC Name: 4-[[4-[[4-amino-3-(naphthalen-1-ylmethoxy)benzoyl]amino]-3-phenylmethoxybenzoyl]amino]-3-propan-2-yloxybenzoic acid Traditional Name: 4-[[4-[[4-amino-3-(1-naphthylmethoxy)benzoyl]amino]-3-benzoxy-benzoyl]amino]-3-isopropoxy-benzoic acid Formula: C42H37N3O7 MolecularWeight: 695.75908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC(=C(C=C2)NC(=O)C3=CC(=C(C=C3)N)OCC4=CC=CC5=CC=CC=C54)OCC6=CC=CC=C6

Isomeric SMILES

CC(C)OC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC(=C(C=C2)NC(=O)C3=CC(=C(C=C3)N)OCC4=CC=CC5=CC=CC=C54)OCC6=CC=CC=C6

InChI

InChI=1S/C42H37N3O7/c1-26(2)52-39-23-31(42(48)49)17-20-36(39)45-41(47)30-16-19-35(38(22-30)50-24-27-9-4-3-5-10-27)44-40(46)29-15-18-34(43)37(21-29)51-25-32-13-8-12-28-11-6-7-14-33(28)32/h3-23,26H,24-25,43H2,1-2H3,(H,44,46)(H,45,47)(H,48,49)