4-[[3-methoxy-4-(3-methylbutoxy)phenyl]carbonylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[[3-methoxy-4-(3-methylbutoxy)phenyl]carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[(4-isopentyloxy-3-methoxy-benzoyl)amino]-3-methyl-benzoic acid CAS Name: 4-[[[3-methoxy-4-(3-methylbutoxy)phenyl]-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]-3-methylbenzoic acid Traditional Name: 4-[(4-isoamoxy-3-methoxy-benzoyl)amino]-3-methyl-benzoic acid Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC(=C(C=C2)OCCC(C)C)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC(=C(C=C2)OCCC(C)C)OC

InChI

InChI=1S/C21H25NO5/c1-13(2)9-10-27-18-8-6-15(12-19(18)26-4)20(23)22-17-7-5-16(21(24)25)11-14(17)3/h5-8,11-13H,9-10H2,1-4H3,(H,22,23)(H,24,25)