2-[2-[[4-(aminomethyl)phenyl]carbamoyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid

Systemtic Name: 2-[2-[[4-(aminomethyl)phenyl]carbamoyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Openeye Name: 2-[2-[[4-(aminomethyl)phenyl]carbamoyl]phenyl]-5-(isobutylcarbamoyl)benzoic acid CAS Name: 2-[2-[[4-(aminomethyl)anilino]-oxomethyl]phenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[[4-(aminomethyl)phenyl]carbamoyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Traditional Name: 2-[2-[[4-(aminomethyl)phenyl]carbamoyl]phenyl]-5-(isobutylcarbamoyl)benzoic acid Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)CN)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)CN)C(=O)O

InChI

InChI=1S/C26H27N3O4/c1-16(2)15-28-24(30)18-9-12-21(23(13-18)26(32)33)20-5-3-4-6-22(20)25(31)29-19-10-7-17(14-27)8-11-19/h3-13,16H,14-15,27H2,1-2H3,(H,28,30)(H,29,31)(H,32,33)