4-[[5-[4-(aminomethyl)phenyl]-2-methoxy-phenyl]carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[5-[4-(aminomethyl)phenyl]-2-methoxy-phenyl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[5-[4-(aminomethyl)phenyl]-2-methoxy-benzoyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[[5-[4-(aminomethyl)phenyl]-2-methoxyphenyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[5-[4-(aminomethyl)phenyl]-2-methoxybenzoyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[5-[4-(aminomethyl)phenyl]-2-methoxy-benzoyl]amino]cyclohexanecarboxylic acid Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=C(C=C2)CN)C(=O)NC3CCC(CC3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=C(C=C2)CN)C(=O)NC3CCC(CC3)C(=O)O

InChI

InChI=1S/C22H26N2O4/c1-28-20-11-8-17(15-4-2-14(13-23)3-5-15)12-19(20)21(25)24-18-9-6-16(7-10-18)22(26)27/h2-5,8,11-12,16,18H,6-7,9-10,13,23H2,1H3,(H,24,25)(H,26,27)