2-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]-3-(1H-indol-3-yl)propionic acid Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=N1)NC(CC3=CNC4=CC=CC=C43)C(=O)O)C

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=N1)NC(CC3=CNC4=CC=CC=C43)C(=O)O)C

InChI

InChI=1S/C22H23N3O2/c1-22(2)12-14-7-3-4-9-17(14)20(25-22)24-19(21(26)27)11-15-13-23-18-10-6-5-8-16(15)18/h3-10,13,19,23H,11-12H2,1-2H3,(H,24,25)(H,26,27)