ethyl (1S,2S)-2-[2-chloranyl-4-[(3-phenoxyphenyl)methylamino]phenyl]cyclopropane-1-carboxylate

Systemtic Name: ethyl (1S,2S)-2-[2-chloranyl-4-[(3-phenoxyphenyl)methylamino]phenyl]cyclopropane-1-carboxylate Openeye Name: ethyl (1S,2S)-2-[2-chloro-4-[(3-phenoxyphenyl)methylamino]phenyl]cyclopropanecarboxylate CAS Name: (1S,2S)-2-[2-chloro-4-[(3-phenoxyphenyl)methylamino]phenyl]-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2S)-2-[2-chloro-4-[(3-phenoxyphenyl)methylamino]phenyl]cyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-[2-chloro-4-[(3-phenoxybenzyl)amino]phenyl]cyclopropanecarboxylic acid ethyl ester Formula: C25H24ClNO3 MolecularWeight: 421.91596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC1C2=C(C=C(C=C2)NCC3=CC(=CC=C3)OC4=CC=CC=C4)Cl

Isomeric SMILES

CCOC(=O)[C@H]1C[C@@H]1C2=C(C=C(C=C2)NCC3=CC(=CC=C3)OC4=CC=CC=C4)Cl

InChI

InChI=1S/C25H24ClNO3/c1-2-29-25(28)23-15-22(23)21-12-11-18(14-24(21)26)27-16-17-7-6-10-20(13-17)30-19-8-4-3-5-9-19/h3-14,22-23,27H,2,15-16H2,1H3/t22-,23+/m1/s1