2-[[3-(aminomethyl)phenyl]carbonyl-(4-methylphenyl)amino]ethanoic acid; 2,3-dihydro-1H-indene-5-carboxamide; hydrochloride

Systemtic Name: 2-[[3-(aminomethyl)phenyl]carbonyl-(4-methylphenyl)amino]ethanoic acid; 2,3-dihydro-1H-indene-5-carboxamide; hydrochloride Openeye Name: 2-(N-[3-(aminomethyl)benzoyl]-4-methyl-anilino)acetic acid; indane-5-carboxamide; hydrochloride CAS Name: 2-(N-[[3-(aminomethyl)phenyl]-oxomethyl]-4-methylanilino)acetic acid; 2,3-dihydro-1H-indene-5-carboxamide; hydrochloride IUPAC Name: 2-(N-[3-(aminomethyl)benzoyl]-4-methylanilino)acetic acid; 2,3-dihydro-1H-indene-5-carboxamide; hydrochloride Traditional Name: 2-(N-[3-(aminomethyl)benzoyl]-4-methyl-anilino)acetic acid; indane-5-carboxamide; hydrochloride Formula: C27H30ClN3O4 MolecularWeight: 495.9978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(=O)O)C(=O)C2=CC(=CC=C2)CN.C1CC2=C(C1)C=C(C=C2)C(=O)N.Cl

Isomeric SMILES

CC1=CC=C(C=C1)N(CC(=O)O)C(=O)C2=CC(=CC=C2)CN.C1CC2=C(C1)C=C(C=C2)C(=O)N.Cl

InChI

InChI=1S/C17H18N2O3.C10H11NO.ClH/c1-12-5-7-15(8-6-12)19(11-16(20)21)17(22)14-4-2-3-13(9-14)10-18;11-10(12)9-5-4-7-2-1-3-8(7)6-9;/h2-9H,10-11,18H2,1H3,(H,20,21);4-6H,1-3H2,(H2,11,12);1H