phenanthridin-6-ylmethyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate

Systemtic Name: phenanthridin-6-ylmethyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Openeye Name: phenanthridin-6-ylmethyl 4-[(isopropylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzoic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Traditional Name: 4-[(isopropylcarbamoylamino)methyl]benzoic acid phenanthridin-6-ylmethyl ester Formula: C26H25N3O3 MolecularWeight: 427.495

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42

InChI

InChI=1S/C26H25N3O3/c1-17(2)28-26(31)27-15-18-11-13-19(14-12-18)25(30)32-16-24-22-9-4-3-7-20(22)21-8-5-6-10-23(21)29-24/h3-14,17H,15-16H2,1-2H3,(H2,27,28,31)