2-methyl-4-pentanoyl-6-phenyl-3-(3-phenylpropylamino)benzoic acid

Systemtic Name: 2-methyl-4-pentanoyl-6-phenyl-3-(3-phenylpropylamino)benzoic acid Openeye Name: 2-methyl-4-pentanoyl-6-phenyl-3-(3-phenylpropylamino)benzoic acid CAS Name: 2-methyl-4-(1-oxopentyl)-6-phenyl-3-(3-phenylpropylamino)benzoic acid IUPAC Name: 2-methyl-4-pentanoyl-6-phenyl-3-(3-phenylpropylamino)benzoic acid Traditional Name: 2-methyl-6-phenyl-3-(3-phenylpropylamino)-4-valeryl-benzoic acid Formula: C28H31NO3 MolecularWeight: 429.55064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=C(C(=C(C(=C1)C2=CC=CC=C2)C(=O)O)C)NCCCC3=CC=CC=C3

Isomeric SMILES

CCCCC(=O)C1=C(C(=C(C(=C1)C2=CC=CC=C2)C(=O)O)C)NCCCC3=CC=CC=C3

InChI

InChI=1S/C28H31NO3/c1-3-4-17-25(30)24-19-23(22-15-9-6-10-16-22)26(28(31)32)20(2)27(24)29-18-11-14-21-12-7-5-8-13-21/h5-10,12-13,15-16,19,29H,3-4,11,14,17-18H2,1-2H3,(H,31,32)