2-(1-azanyl-1,2,3,4-tetrahydronaphthalen-2-yl)ethanoyl 4-[(E)-pyrrolidin-1-yliminomethyl]benzoate

Systemtic Name: 2-(1-azanyl-1,2,3,4-tetrahydronaphthalen-2-yl)ethanoyl 4-[(E)-pyrrolidin-1-yliminomethyl]benzoate Openeye Name: [2-(1-aminotetralin-2-yl)acetyl] 4-[(E)-pyrrolidin-1-yliminomethyl]benzoate CAS Name: 4-[(E)-1-pyrrolidinyliminomethyl]benzoic acid [2-(1-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-1-oxoethyl] ester IUPAC Name: [2-(1-amino-1,2,3,4-tetrahydronaphthalen-2-yl)acetyl] 4-[(E)-pyrrolidin-1-yliminomethyl]benzoate Traditional Name: 4-[(E)-pyrrolidinoiminomethyl]benzoic acid [2-(1-aminotetralin-2-yl)acetyl] ester Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)N=CC2=CC=C(C=C2)C(=O)OC(=O)CC3CCC4=CC=CC=C4C3N

Isomeric SMILES

C1CCN(C1)/N=C/C2=CC=C(C=C2)C(=O)OC(=O)CC3CCC4=CC=CC=C4C3N

InChI

InChI=1S/C24H27N3O3/c25-23-20(12-11-18-5-1-2-6-21(18)23)15-22(28)30-24(29)19-9-7-17(8-10-19)16-26-27-13-3-4-14-27/h1-2,5-10,16,20,23H,3-4,11-15,25H2/b26-16+