(phenylmethyl) (3S)-2-[(3-butoxy-3-oxidanylidene-propyl)-ethyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (phenylmethyl) (3S)-2-[(3-butoxy-3-oxidanylidene-propyl)-ethyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: benzyl (3S)-2-[(3-butoxy-3-oxo-propyl)-ethyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[[(3-butoxy-3-oxopropyl)-ethylamino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-2-[(3-butoxy-3-oxopropyl)-ethylcarbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-[(3-butoxy-3-keto-propyl)-ethyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid benzyl ester Formula: C27H34N2O5 MolecularWeight: 466.56926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCN(CC)C(=O)N1CC2=CC=CC=C2CC1C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)CCN(CC)C(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H34N2O5/c1-3-5-17-33-25(30)15-16-28(4-2)27(32)29-19-23-14-10-9-13-22(23)18-24(29)26(31)34-20-21-11-7-6-8-12-21/h6-14,24H,3-5,15-20H2,1-2H3/t24-/m0/s1