4-(3,5-dimethoxy-4-methyl-phenyl)carbonyl-3-(3-phenylpropylamino)-2-propoxy-benzoic acid

Systemtic Name: 4-(3,5-dimethoxy-4-methyl-phenyl)carbonyl-3-(3-phenylpropylamino)-2-propoxy-benzoic acid Openeye Name: 4-(3,5-dimethoxy-4-methyl-benzoyl)-3-(3-phenylpropylamino)-2-propoxy-benzoic acid CAS Name: 4-[(3,5-dimethoxy-4-methylphenyl)-oxomethyl]-3-(3-phenylpropylamino)-2-propoxybenzoic acid IUPAC Name: 4-(3,5-dimethoxy-4-methylbenzoyl)-3-(3-phenylpropylamino)-2-propoxybenzoic acid Traditional Name: 4-(3,5-dimethoxy-4-methyl-benzoyl)-3-(3-phenylpropylamino)-2-propoxy-benzoic acid Formula: C29H33NO6 MolecularWeight: 491.57542

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1NCCCC2=CC=CC=C2)C(=O)C3=CC(=C(C(=C3)OC)C)OC)C(=O)O

Isomeric SMILES

CCCOC1=C(C=CC(=C1NCCCC2=CC=CC=C2)C(=O)C3=CC(=C(C(=C3)OC)C)OC)C(=O)O

InChI

InChI=1S/C29H33NO6/c1-5-16-36-28-23(29(32)33)14-13-22(26(28)30-15-9-12-20-10-7-6-8-11-20)27(31)21-17-24(34-3)19(2)25(18-21)35-4/h6-8,10-11,13-14,17-18,30H,5,9,12,15-16H2,1-4H3,(H,32,33)