3-azanyl-1-[2-[3-(dimethylamino)-4-methoxy-5-propan-2-yl-phenyl]-2-oxidanylidene-ethyl]-6-ethoxy-1H-isoindole-5-carboxylic acid

Systemtic Name: 3-azanyl-1-[2-[3-(dimethylamino)-4-methoxy-5-propan-2-yl-phenyl]-2-oxidanylidene-ethyl]-6-ethoxy-1H-isoindole-5-carboxylic acid Openeye Name: 3-amino-1-[2-[3-(dimethylamino)-5-isopropyl-4-methoxy-phenyl]-2-oxo-ethyl]-6-ethoxy-1H-isoindole-5-carboxylic acid CAS Name: 3-amino-1-[2-[3-(dimethylamino)-4-methoxy-5-propan-2-ylphenyl]-2-oxoethyl]-6-ethoxy-1H-isoindole-5-carboxylic acid IUPAC Name: 3-amino-1-[2-[3-(dimethylamino)-4-methoxy-5-propan-2-ylphenyl]-2-oxoethyl]-6-ethoxy-1H-isoindole-5-carboxylic acid Traditional Name: 3-amino-1-[2-[3-(dimethylamino)-5-isopropyl-4-methoxy-phenyl]-2-keto-ethyl]-6-ethoxy-1H-isoindole-5-carboxylic acid Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(N=C2N)CC(=O)C3=CC(=C(C(=C3)N(C)C)OC)C(C)C)C(=O)O

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(N=C2N)CC(=O)C3=CC(=C(C(=C3)N(C)C)OC)C(C)C)C(=O)O

InChI

InChI=1S/C25H31N3O5/c1-7-33-22-11-16-17(10-18(22)25(30)31)24(26)27-19(16)12-21(29)14-8-15(13(2)3)23(32-6)20(9-14)28(4)5/h8-11,13,19H,7,12H2,1-6H3,(H2,26,27)(H,30,31)