4-chloranyl-3-phenethyloxy-7-[(phenylmethyl)amino]isochromen-1-one

Systemtic Name: 4-chloranyl-3-phenethyloxy-7-[(phenylmethyl)amino]isochromen-1-one Openeye Name: 7-(benzylamino)-4-chloro-3-phenethyloxy-isochromen-1-one CAS Name: 4-chloro-3-phenethyloxy-7-[(phenylmethyl)amino]-2-benzopyran-1-one IUPAC Name: 7-(benzylamino)-4-chloro-3-phenethyloxyisochromen-1-one Traditional Name: 7-(benzylamino)-4-chloro-3-phenethyloxy-isocoumarin Formula: C24H20ClNO3 MolecularWeight: 405.8735

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=C(C3=C(C=C(C=C3)NCC4=CC=CC=C4)C(=O)O2)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=C(C3=C(C=C(C=C3)NCC4=CC=CC=C4)C(=O)O2)Cl

InChI

InChI=1S/C24H20ClNO3/c25-22-20-12-11-19(26-16-18-9-5-2-6-10-18)15-21(20)23(27)29-24(22)28-14-13-17-7-3-1-4-8-17/h1-12,15,26H,13-14,16H2