[4-chloranyl-2-[[3-(diethylamino)-2-oxidanyl-propyl]carbamoyl]-1-phenyl-indol-3-yl] benzoate

Systemtic Name: [4-chloranyl-2-[[3-(diethylamino)-2-oxidanyl-propyl]carbamoyl]-1-phenyl-indol-3-yl] benzoate Openeye Name: [4-chloro-2-[[3-(diethylamino)-2-hydroxy-propyl]carbamoyl]-1-phenyl-indol-3-yl] benzoate CAS Name: benzoic acid [4-chloro-2-[[[3-(diethylamino)-2-hydroxypropyl]amino]-oxomethyl]-1-phenyl-3-indolyl] ester IUPAC Name: [4-chloro-2-[[3-(diethylamino)-2-hydroxypropyl]carbamoyl]-1-phenylindol-3-yl] benzoate Traditional Name: benzoic acid [4-chloro-2-[[3-(diethylamino)-2-hydroxy-propyl]carbamoyl]-1-phenyl-indol-3-yl] ester Formula: C29H30ClN3O4 MolecularWeight: 520.0192

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(CNC(=O)C1=C(C2=C(N1C3=CC=CC=C3)C=CC=C2Cl)OC(=O)C4=CC=CC=C4)O

Isomeric SMILES

CCN(CC)CC(CNC(=O)C1=C(C2=C(N1C3=CC=CC=C3)C=CC=C2Cl)OC(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C29H30ClN3O4/c1-3-32(4-2)19-22(34)18-31-28(35)26-27(37-29(36)20-12-7-5-8-13-20)25-23(30)16-11-17-24(25)33(26)21-14-9-6-10-15-21/h5-17,22,34H,3-4,18-19H2,1-2H3,(H,31,35)