4-[1-azanyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-1-oxidanylidene-butan-2-yl]benzoic acid

Systemtic Name: 4-[1-azanyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-1-oxidanylidene-butan-2-yl]benzoic acid Openeye Name: 4-[1-carbamoyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]propyl]benzoic acid CAS Name: 4-[1-amino-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-1-oxobutan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-1-oxobutan-2-yl]benzoic acid Traditional Name: 4-[1-carbamoyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]propyl]benzoic acid Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1N2CCC3=CC=CC=C3C2)C(C4=CC=C(C=C4)C(=O)O)C(=O)N

Isomeric SMILES

CC(C1=CC=CC=C1N2CCC3=CC=CC=C3C2)C(C4=CC=C(C=C4)C(=O)O)C(=O)N

InChI

InChI=1S/C26H26N2O3/c1-17(24(25(27)29)19-10-12-20(13-11-19)26(30)31)22-8-4-5-9-23(22)28-15-14-18-6-2-3-7-21(18)16-28/h2-13,17,24H,14-16H2,1H3,(H2,27,29)(H,30,31)