phenanthridin-6-ylmethyl 2-[(3,4-dimethylphenyl)carbonylamino]ethanoate

Systemtic Name: phenanthridin-6-ylmethyl 2-[(3,4-dimethylphenyl)carbonylamino]ethanoate Openeye Name: phenanthridin-6-ylmethyl 2-[(3,4-dimethylbenzoyl)amino]acetate CAS Name: 2-[[(3,4-dimethylphenyl)-oxomethyl]amino]acetic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 2-[(3,4-dimethylbenzoyl)amino]acetate Traditional Name: 2-[(3,4-dimethylbenzoyl)amino]acetic acid phenanthridin-6-ylmethyl ester Formula: C25H22N2O3 MolecularWeight: 398.45378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42)C

InChI

InChI=1S/C25H22N2O3/c1-16-11-12-18(13-17(16)2)25(29)26-14-24(28)30-15-23-21-9-4-3-7-19(21)20-8-5-6-10-22(20)27-23/h3-13H,14-15H2,1-2H3,(H,26,29)