tert-butyl 4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzoate

Systemtic Name: tert-butyl 4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzoate Openeye Name: tert-butyl 4-[(3S)-3-[[(1R)-1-(1-naphthyl)ethyl]amino]pyrrolidin-1-yl]benzoate CAS Name: 4-[(3S)-3-[[(1R)-1-(1-naphthalenyl)ethyl]amino]-1-pyrrolidinyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzoate Traditional Name: 4-[(3S)-3-[[(1R)-1-(1-naphthyl)ethyl]amino]pyrrolidino]benzoic acid tert-butyl ester Formula: C27H32N2O2 MolecularWeight: 416.55518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC3CCN(C3)C4=CC=C(C=C4)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@H](C1=CC=CC2=CC=CC=C21)N[C@H]3CCN(C3)C4=CC=C(C=C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H32N2O2/c1-19(24-11-7-9-20-8-5-6-10-25(20)24)28-22-16-17-29(18-22)23-14-12-21(13-15-23)26(30)31-27(2,3)4/h5-15,19,22,28H,16-18H2,1-4H3/t19-,22+/m1/s1